REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1vfo_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLLEAIFHEA KGSYAYPISE TQLRVRLRAK KGDVVRCEVL YADRYASPEE DATA SEQUENCE ELAHALAGKA GSDERFDYFE ALLECSTKRV KYVFLLTGPQ GEAVYFGETG DATA SEQUENCE FSAERSKAGV FQYAYIHRSE VFTTPEWAKE AVIYQIFPER FANGDPSNDP DATA SEQUENCE PGTEQWAKDA RPRHDSFYGG DLKGVIDRLP YLEELGVTAL YFTPIFASPS DATA SEQUENCE HHKYDTADYL AIDPQFGDLP TFRRLVDEAH RRGIKIILDA VFNHAGDQFF DATA SEQUENCE AFRDVLQKGE QSRYKDWFFI EDFPVSKTSR TNYETFAVQV PAMPKLRTEN DATA SEQUENCE PEVKEYLFDV ARFWMEQGID GWRLNVANEV DHAFWREFRR LVKSLNPDAL DATA SEQUENCE IVGEIWHDAS GWLMGDQFDS VMNYLFRESV IRFFATGEIH AERFDAELTR DATA SEQUENCE ARMLYPEQAA QGLWNLLDSH NTERFLTSCG GNEAKFRLAV LFQMTYLGTP DATA SEQUENCE LIYYGDEIGM AGATDPDCRR PMIWEEKEQN RGLFEFYKEL IRLRHRLASL DATA SEQUENCE TRGNVRSWHA DKQANLYAFV RTVQDQHVGV VLNNRGEKQT VLLQVPESGG DATA SEQUENCE KTWLDCLTGE EVHGKQGQLK LTLRPYQGMI LWNGR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.207 176.300 -0.155 0.000 1.140 1 M CA 0.000 55.235 55.300 -0.108 0.000 0.988 1 M CB 0.000 32.534 32.600 -0.109 0.000 1.302 2 L N 4.447 125.595 121.223 -0.125 0.000 2.838 2 L HA -0.018 4.323 4.340 0.001 0.000 0.287 2 L C 1.202 177.950 176.870 -0.203 0.000 1.124 2 L CA 0.009 54.769 54.840 -0.134 0.000 1.091 2 L CB -0.369 41.637 42.059 -0.088 0.000 1.448 2 L HN 0.813 nan 8.230 nan 0.000 0.455 3 L N 1.533 122.561 121.223 -0.325 0.000 2.191 3 L HA -0.191 4.150 4.340 0.001 0.000 0.212 3 L C 1.997 178.658 176.870 -0.349 0.000 1.103 3 L CA 0.961 55.440 54.840 -0.601 0.000 0.769 3 L CB -0.221 41.291 42.059 -0.913 0.000 0.908 3 L HN 0.569 nan 8.230 nan 0.000 0.438 4 E N 0.331 120.440 120.200 -0.152 0.000 2.333 4 E HA -0.117 4.234 4.350 0.001 0.000 0.198 4 E C 1.634 178.254 176.600 0.034 0.000 1.007 4 E CA 0.934 57.322 56.400 -0.020 0.000 0.845 4 E CB -0.080 29.618 29.700 -0.005 0.000 0.766 4 E HN 0.417 nan 8.360 nan 0.000 0.507 5 A N 0.258 123.084 122.820 0.010 0.000 2.507 5 A HA 0.265 4.586 4.320 0.001 0.000 0.270 5 A C 0.212 177.892 177.584 0.159 0.000 1.318 5 A CA -0.268 51.839 52.037 0.118 0.000 0.924 5 A CB -0.051 19.001 19.000 0.087 0.000 1.061 5 A HN 0.064 nan 8.150 nan 0.000 0.516 6 I N 0.146 120.764 120.570 0.081 0.000 2.339 6 I HA 0.445 4.615 4.170 0.001 0.000 0.290 6 I C -0.744 175.499 176.117 0.210 0.000 0.994 6 I CA -0.547 60.804 61.300 0.085 0.000 1.191 6 I CB 1.347 39.284 38.000 -0.106 0.000 1.343 6 I HN 0.312 nan 8.210 nan 0.000 0.458 7 F N 6.720 126.714 119.950 0.073 0.000 2.577 7 F HA 0.665 5.192 4.527 0.001 0.000 0.318 7 F C -0.642 175.224 175.800 0.110 0.000 1.065 7 F CA -0.181 57.856 58.000 0.062 0.000 0.929 7 F CB 1.533 40.426 39.000 -0.180 0.000 1.237 7 F HN 0.487 nan 8.300 nan 0.000 0.468 8 H N 3.109 121.321 119.070 -1.429 0.000 2.988 8 H HA 0.228 4.785 4.556 0.001 0.000 0.284 8 H C -2.230 172.379 175.328 -1.198 0.000 1.284 8 H CA -0.526 54.834 56.048 -1.146 0.000 1.431 8 H CB 1.742 31.119 29.762 -0.641 0.000 1.954 8 H HN 0.844 nan 8.280 nan 0.000 0.509 9 E N 2.774 122.033 120.200 -1.568 0.000 2.308 9 E HA 0.609 4.960 4.350 0.001 0.000 0.275 9 E C -1.131 175.030 176.600 -0.731 0.000 0.890 9 E CA -0.928 54.955 56.400 -0.861 0.000 0.754 9 E CB 2.098 31.581 29.700 -0.361 0.000 1.207 9 E HN 0.572 nan 8.360 nan 0.000 0.426 10 A N 4.245 126.895 122.820 -0.282 0.000 2.900 10 A HA 0.141 4.462 4.320 0.001 0.000 0.246 10 A C 0.023 177.755 177.584 0.246 0.000 1.725 10 A CA 0.742 52.853 52.037 0.124 0.000 1.400 10 A CB -1.004 18.187 19.000 0.318 0.000 0.973 10 A HN 0.636 nan 8.150 nan 0.000 0.635 11 K N -2.543 117.964 120.400 0.178 0.000 3.073 11 K HA 0.526 4.846 4.320 0.001 0.000 0.300 11 K C 0.484 177.236 176.600 0.253 0.000 1.082 11 K CA -0.462 55.989 56.287 0.273 0.000 0.803 11 K CB -0.357 32.252 32.500 0.182 0.000 1.488 11 K HN 1.483 nan 8.250 nan 0.000 0.372 12 G N 0.854 109.807 108.800 0.255 0.000 2.561 12 G HA2 -0.338 3.622 3.960 0.001 0.000 0.289 12 G HA3 -0.338 3.622 3.960 0.001 0.000 0.289 12 G C 0.539 175.608 174.900 0.283 0.000 1.169 12 G CA 0.492 45.734 45.100 0.237 0.000 0.980 12 G HN 0.793 nan 8.290 nan 0.000 0.550 13 S N 0.135 116.018 115.700 0.305 0.000 2.605 13 S HA 0.369 4.840 4.470 0.001 0.000 0.217 13 S C 1.091 175.703 174.600 0.019 0.000 0.958 13 S CA 0.956 59.266 58.200 0.183 0.000 0.919 13 S CB 0.031 63.289 63.200 0.096 0.000 0.780 13 S HN 0.471 nan 8.310 nan 0.000 0.507 14 Y N 0.823 121.271 120.300 0.247 0.000 2.426 14 Y HA 0.556 5.106 4.550 0.001 0.000 0.249 14 Y C 0.695 176.635 175.900 0.066 0.000 1.103 14 Y CA -0.247 57.939 58.100 0.143 0.000 1.256 14 Y CB 0.763 39.223 38.460 0.002 0.000 1.208 14 Y HN 0.197 nan 8.280 nan 0.000 0.519 15 A N 0.349 123.279 122.820 0.183 0.000 2.456 15 A HA 0.699 5.020 4.320 0.001 0.000 0.288 15 A C -1.801 175.833 177.584 0.083 0.000 1.042 15 A CA -0.535 51.516 52.037 0.022 0.000 0.738 15 A CB 0.367 19.451 19.000 0.142 0.000 1.266 15 A HN 0.275 nan 8.150 nan 0.000 0.407 16 Y N 0.540 120.720 120.300 -0.199 0.000 2.638 16 Y HA 0.776 5.327 4.550 0.001 0.000 0.334 16 Y C -3.425 172.338 175.900 -0.227 0.000 1.182 16 Y CA -2.245 55.754 58.100 -0.168 0.000 1.102 16 Y CB 1.046 39.521 38.460 0.025 0.000 1.343 16 Y HN 0.421 nan 8.280 nan 0.000 0.463 17 P HA 0.409 nan 4.420 nan 0.000 0.282 17 P C 0.111 177.483 177.300 0.120 0.000 1.259 17 P CA -0.401 62.673 63.100 -0.042 0.000 0.826 17 P CB 2.403 34.104 31.700 0.001 0.000 1.064 18 I N -1.478 119.110 120.570 0.030 0.000 4.102 18 I HA 0.349 4.520 4.170 0.001 0.000 0.325 18 I C -0.287 175.851 176.117 0.034 0.000 1.471 18 I CA -0.361 60.978 61.300 0.065 0.000 1.133 18 I CB 0.336 38.353 38.000 0.027 0.000 1.184 18 I HN 0.359 nan 8.210 nan 0.000 0.451 19 S N -0.897 114.818 115.700 0.025 0.000 2.645 19 S HA 0.175 4.646 4.470 0.001 0.000 0.268 19 S C 0.071 174.679 174.600 0.013 0.000 1.110 19 S CA -0.564 57.648 58.200 0.020 0.000 0.823 19 S CB 1.271 64.471 63.200 -0.000 0.000 1.091 19 S HN 0.277 nan 8.310 nan 0.000 0.466 20 E N 0.166 120.376 120.200 0.017 0.000 2.515 20 E HA -0.029 4.322 4.350 0.001 0.000 0.201 20 E C 1.086 177.663 176.600 -0.038 0.000 1.071 20 E CA 1.435 57.837 56.400 0.003 0.000 0.880 20 E CB -0.095 29.614 29.700 0.015 0.000 0.828 20 E HN 0.739 nan 8.360 nan 0.000 0.540 21 T N -3.748 110.783 114.554 -0.038 0.000 3.130 21 T HA 0.160 4.510 4.350 0.001 0.000 0.288 21 T C 0.083 174.745 174.700 -0.064 0.000 0.936 21 T CA -0.565 61.504 62.100 -0.051 0.000 0.897 21 T CB 0.371 69.221 68.868 -0.030 0.000 1.178 21 T HN -0.062 nan 8.240 nan 0.000 0.543 22 Q N 1.195 120.946 119.800 -0.081 0.000 2.321 22 Q HA 0.688 5.029 4.340 0.001 0.000 0.270 22 Q C -1.851 174.032 176.000 -0.194 0.000 1.032 22 Q CA -0.872 54.856 55.803 -0.124 0.000 0.784 22 Q CB 2.905 31.585 28.738 -0.097 0.000 1.264 22 Q HN 0.258 nan 8.270 nan 0.000 0.448 23 L N 2.379 123.427 121.223 -0.292 0.000 2.307 23 L HA 0.522 4.862 4.340 0.001 0.000 0.284 23 L C -0.861 175.721 176.870 -0.479 0.000 1.023 23 L CA -0.445 54.139 54.840 -0.427 0.000 0.810 23 L CB 1.241 42.989 42.059 -0.518 0.000 1.231 23 L HN 0.482 nan 8.230 nan 0.000 0.423 24 R N 4.116 124.269 120.500 -0.578 0.000 2.254 24 R HA 0.679 5.019 4.340 0.001 0.000 0.318 24 R C -1.477 174.466 176.300 -0.595 0.000 1.031 24 R CA -0.455 55.280 56.100 -0.608 0.000 0.905 24 R CB 1.064 30.865 30.300 -0.831 0.000 1.050 24 R HN 0.495 nan 8.270 nan 0.000 0.456 25 V N 2.100 121.783 119.914 -0.385 0.000 2.604 25 V HA 0.723 4.843 4.120 0.001 0.000 0.305 25 V C -0.608 175.491 176.094 0.008 0.000 1.043 25 V CA -0.935 61.253 62.300 -0.186 0.000 0.888 25 V CB 1.919 33.572 31.823 -0.284 0.000 0.995 25 V HN 0.754 nan 8.190 nan 0.000 0.429 26 R N 3.786 124.387 120.500 0.168 0.000 2.740 26 R HA 0.823 5.164 4.340 0.001 0.000 0.282 26 R C -1.459 175.132 176.300 0.484 0.000 0.969 26 R CA -0.776 55.459 56.100 0.225 0.000 0.918 26 R CB 2.782 33.073 30.300 -0.015 0.000 1.175 26 R HN 0.879 nan 8.270 nan 0.000 0.464 27 L N 2.086 123.563 121.223 0.424 0.000 2.431 27 L HA 0.593 4.933 4.340 0.001 0.000 0.266 27 L C -1.103 176.023 176.870 0.426 0.000 0.978 27 L CA -0.824 54.224 54.840 0.347 0.000 0.822 27 L CB 2.085 44.117 42.059 -0.044 0.000 1.310 27 L HN 0.726 nan 8.230 nan 0.000 0.409 28 R N 4.209 124.915 120.500 0.342 0.000 2.803 28 R HA 1.006 5.347 4.340 0.001 0.000 0.276 28 R C -1.564 174.835 176.300 0.165 0.000 0.978 28 R CA -0.464 55.707 56.100 0.118 0.000 0.939 28 R CB 2.120 32.286 30.300 -0.223 0.000 1.179 28 R HN 0.698 nan 8.270 nan 0.000 0.472 29 A N 1.592 124.550 122.820 0.230 0.000 2.610 29 A HA 0.399 4.719 4.320 0.001 0.000 0.291 29 A C -1.348 176.424 177.584 0.314 0.000 1.086 29 A CA -1.042 51.165 52.037 0.283 0.000 0.677 29 A CB 1.428 20.558 19.000 0.218 0.000 1.278 29 A HN 0.812 nan 8.150 nan 0.000 0.414 30 K N 1.086 121.582 120.400 0.159 0.000 2.511 30 K HA -0.006 4.314 4.320 0.001 0.000 0.280 30 K C 0.209 176.792 176.600 -0.029 0.000 1.008 30 K CA 0.240 56.495 56.287 -0.054 0.000 1.050 30 K CB 0.251 32.697 32.500 -0.089 0.000 0.889 30 K HN 0.628 nan 8.250 nan 0.000 0.484 31 K N 2.938 123.271 120.400 -0.111 0.000 2.466 31 K HA -0.117 4.204 4.320 0.001 0.000 0.278 31 K C 0.610 177.197 176.600 -0.021 0.000 1.048 31 K CA 1.260 57.512 56.287 -0.058 0.000 1.088 31 K CB -0.231 32.214 32.500 -0.092 0.000 0.884 31 K HN 0.875 nan 8.250 nan 0.000 0.478 32 G N 3.694 112.510 108.800 0.026 0.000 2.159 32 G HA2 -0.284 3.677 3.960 0.001 0.000 0.256 32 G HA3 -0.284 3.677 3.960 0.001 0.000 0.256 32 G C 0.523 175.446 174.900 0.039 0.000 0.977 32 G CA 0.504 45.625 45.100 0.036 0.000 0.652 32 G HN 0.814 nan 8.290 nan 0.000 0.531 33 D N -0.798 119.630 120.400 0.046 0.000 2.240 33 D HA 0.255 4.895 4.640 0.001 0.000 0.206 33 D C 1.062 177.381 176.300 0.032 0.000 0.963 33 D CA 1.115 55.128 54.000 0.021 0.000 0.863 33 D CB 0.333 41.135 40.800 0.002 0.000 0.973 33 D HN 0.321 nan 8.370 nan 0.000 0.501 34 V N 0.707 120.678 119.914 0.095 0.000 2.540 34 V HA 0.204 4.325 4.120 0.001 0.000 0.302 34 V C 0.907 177.082 176.094 0.134 0.000 1.035 34 V CA -0.547 61.782 62.300 0.047 0.000 0.873 34 V CB 2.093 33.886 31.823 -0.050 0.000 0.992 34 V HN -0.147 nan 8.190 nan 0.000 0.428 35 V N 3.616 123.559 119.914 0.049 0.000 2.949 35 V HA 0.271 4.392 4.120 0.001 0.000 0.245 35 V C 0.785 176.916 176.094 0.062 0.000 1.086 35 V CA 0.714 63.072 62.300 0.098 0.000 1.097 35 V CB 0.014 31.872 31.823 0.058 0.000 0.762 35 V HN 0.809 nan 8.190 nan 0.000 0.470 36 R N -0.549 119.907 120.500 -0.074 0.000 2.673 36 R HA 0.633 4.973 4.340 0.001 0.000 0.281 36 R C -1.987 174.161 176.300 -0.253 0.000 0.991 36 R CA -0.336 55.704 56.100 -0.100 0.000 0.896 36 R CB 2.098 32.379 30.300 -0.031 0.000 1.201 36 R HN 0.234 nan 8.270 nan 0.000 0.457 37 C N 3.416 122.573 119.300 -0.239 0.000 2.505 37 C HA 0.504 4.965 4.460 0.001 0.000 0.342 37 C C -0.951 174.037 174.990 -0.003 0.000 1.121 37 C CA -0.303 58.590 59.018 -0.209 0.000 1.306 37 C CB 1.037 28.474 27.740 -0.504 0.000 1.897 37 C HN 1.020 nan 8.230 nan 0.000 0.446 38 E N 3.615 123.842 120.200 0.045 0.000 2.256 38 E HA 0.755 5.106 4.350 0.001 0.000 0.267 38 E C -1.451 175.171 176.600 0.037 0.000 0.892 38 E CA -0.547 55.889 56.400 0.060 0.000 0.775 38 E CB 2.076 31.814 29.700 0.064 0.000 1.207 38 E HN 0.559 nan 8.360 nan 0.000 0.420 39 V N 4.464 124.365 119.914 -0.022 0.000 2.350 39 V HA 0.277 4.398 4.120 0.001 0.000 0.285 39 V C -0.770 175.313 176.094 -0.019 0.000 1.014 39 V CA -0.823 61.382 62.300 -0.160 0.000 0.831 39 V CB 0.874 32.494 31.823 -0.338 0.000 1.000 39 V HN 0.558 nan 8.190 nan 0.000 0.433 40 L N 7.231 128.423 121.223 -0.053 0.000 2.265 40 L HA 0.596 4.936 4.340 0.001 0.000 0.288 40 L C -0.287 176.634 176.870 0.085 0.000 1.058 40 L CA -0.098 54.685 54.840 -0.095 0.000 0.809 40 L CB 0.137 42.117 42.059 -0.132 0.000 1.179 40 L HN 0.745 nan 8.230 nan 0.000 0.429 41 Y N 1.625 121.846 120.300 -0.131 0.000 2.689 41 Y HA 0.994 5.545 4.550 0.001 0.000 0.333 41 Y C -0.571 175.306 175.900 -0.038 0.000 1.190 41 Y CA -1.115 56.957 58.100 -0.048 0.000 1.063 41 Y CB 1.546 39.988 38.460 -0.030 0.000 1.294 41 Y HN 0.666 nan 8.280 nan 0.000 0.466 42 A N 0.610 123.461 122.820 0.052 0.000 2.438 42 A HA 0.421 4.741 4.320 0.001 0.000 0.301 42 A C -2.083 175.543 177.584 0.069 0.000 1.101 42 A CA -0.460 51.550 52.037 -0.046 0.000 0.621 42 A CB 0.598 19.556 19.000 -0.070 0.000 1.350 42 A HN 0.898 nan 8.150 nan 0.000 0.496 43 D N -0.462 119.962 120.400 0.041 0.000 2.345 43 D HA 0.411 5.052 4.640 0.001 0.000 0.247 43 D C 1.236 177.562 176.300 0.042 0.000 1.108 43 D CA -0.107 53.935 54.000 0.070 0.000 0.894 43 D CB 0.773 41.621 40.800 0.080 0.000 1.203 43 D HN 0.454 nan 8.370 nan 0.000 0.430 44 R N 1.956 122.466 120.500 0.016 0.000 2.103 44 R HA -0.203 4.137 4.340 0.001 0.000 0.242 44 R C 1.167 177.324 176.300 -0.240 0.000 1.142 44 R CA 1.483 57.499 56.100 -0.140 0.000 0.960 44 R CB -0.308 29.844 30.300 -0.247 0.000 0.858 44 R HN 0.638 nan 8.270 nan 0.000 0.439 45 Y N 0.171 120.491 120.300 0.032 0.000 2.490 45 Y HA 0.253 4.804 4.550 0.001 0.000 0.281 45 Y C 0.841 176.748 175.900 0.011 0.000 1.174 45 Y CA -0.416 57.696 58.100 0.020 0.000 1.295 45 Y CB 0.129 38.604 38.460 0.025 0.000 1.062 45 Y HN 0.048 nan 8.280 nan 0.000 0.522 46 A N 0.591 123.472 122.820 0.103 0.000 2.540 46 A HA 0.153 4.473 4.320 0.001 0.000 0.239 46 A C 0.806 178.412 177.584 0.037 0.000 1.061 46 A CA 0.078 52.151 52.037 0.060 0.000 0.758 46 A CB 0.012 19.027 19.000 0.025 0.000 0.991 46 A HN 0.267 nan 8.150 nan 0.000 0.502 47 S N 3.026 118.745 115.700 0.032 0.000 2.568 47 S HA 0.202 4.672 4.470 0.001 0.000 0.282 47 S C -0.726 173.875 174.600 0.001 0.000 1.338 47 S CA -0.455 57.756 58.200 0.019 0.000 1.045 47 S CB 0.418 63.627 63.200 0.016 0.000 0.873 47 S HN 0.607 nan 8.310 nan 0.000 0.516 48 P HA -0.044 nan 4.420 nan 0.000 0.225 48 P C 0.413 177.704 177.300 -0.016 0.000 1.148 48 P CA 1.005 64.094 63.100 -0.017 0.000 0.779 48 P CB 0.099 31.787 31.700 -0.019 0.000 0.780 49 E N -0.371 119.823 120.200 -0.009 0.000 2.474 49 E HA 0.024 4.375 4.350 0.001 0.000 0.194 49 E C 0.480 177.076 176.600 -0.007 0.000 1.041 49 E CA -0.018 56.377 56.400 -0.008 0.000 0.874 49 E CB 0.054 29.752 29.700 -0.004 0.000 0.914 49 E HN 0.496 nan 8.360 nan 0.000 0.498 50 E N 1.190 121.385 120.200 -0.008 0.000 2.392 50 E HA 0.061 4.412 4.350 0.001 0.000 0.256 50 E C -0.136 176.454 176.600 -0.016 0.000 1.145 50 E CA -0.189 56.205 56.400 -0.011 0.000 0.929 50 E CB 0.564 30.258 29.700 -0.011 0.000 0.998 50 E HN -0.002 nan 8.360 nan 0.000 0.442 51 E N 1.369 121.559 120.200 -0.017 0.000 2.290 51 E HA 0.118 4.468 4.350 0.001 0.000 0.277 51 E C -0.453 176.121 176.600 -0.044 0.000 1.035 51 E CA -0.104 56.289 56.400 -0.013 0.000 0.873 51 E CB 0.647 30.346 29.700 -0.001 0.000 1.029 51 E HN 0.314 nan 8.360 nan 0.000 0.419 52 L N 2.641 123.837 121.223 -0.045 0.000 2.361 52 L HA 0.178 4.518 4.340 0.001 0.000 0.278 52 L C 0.719 177.482 176.870 -0.180 0.000 1.113 52 L CA -0.375 54.385 54.840 -0.133 0.000 0.849 52 L CB 0.763 42.735 42.059 -0.145 0.000 1.155 52 L HN 0.477 nan 8.230 nan 0.000 0.452 53 A N 3.470 126.081 122.820 -0.349 0.000 2.425 53 A HA 0.346 4.667 4.320 0.001 0.000 0.242 53 A C -0.510 176.880 177.584 -0.323 0.000 1.077 53 A CA -0.090 51.713 52.037 -0.389 0.000 0.781 53 A CB 0.073 18.535 19.000 -0.896 0.000 1.020 53 A HN 0.738 nan 8.150 nan 0.000 0.494 54 H N -0.779 118.234 119.070 -0.095 0.000 2.651 54 H HA 0.782 5.339 4.556 0.001 0.000 0.353 54 H C -0.057 175.391 175.328 0.200 0.000 1.178 54 H CA 0.315 56.405 56.048 0.069 0.000 1.224 54 H CB 1.884 31.666 29.762 0.034 0.000 1.702 54 H HN 0.962 nan 8.280 nan 0.000 0.550 55 A N 1.584 124.564 122.820 0.267 0.000 2.512 55 A HA 0.403 4.724 4.320 0.001 0.000 0.294 55 A C -1.873 175.766 177.584 0.091 0.000 1.054 55 A CA -0.550 51.581 52.037 0.157 0.000 0.756 55 A CB 0.781 19.818 19.000 0.062 0.000 1.293 55 A HN 0.464 nan 8.150 nan 0.000 0.395 56 L N 2.717 123.989 121.223 0.081 0.000 2.265 56 L HA 0.718 5.058 4.340 0.001 0.000 0.288 56 L C 0.561 177.478 176.870 0.078 0.000 1.058 56 L CA 0.091 54.978 54.840 0.078 0.000 0.809 56 L CB 1.044 43.149 42.059 0.075 0.000 1.179 56 L HN 0.985 nan 8.230 nan 0.000 0.429 57 A N 4.462 127.345 122.820 0.104 0.000 2.347 57 A HA 0.630 4.950 4.320 0.001 0.000 0.287 57 A C 0.510 178.236 177.584 0.237 0.000 1.199 57 A CA 0.077 52.211 52.037 0.162 0.000 0.851 57 A CB -0.270 18.861 19.000 0.219 0.000 1.118 57 A HN 0.889 nan 8.150 nan 0.000 0.525 58 G N 1.270 110.190 108.800 0.200 0.000 2.476 58 G HA2 0.407 4.367 3.960 0.001 0.000 0.269 58 G HA3 0.407 4.367 3.960 0.001 0.000 0.269 58 G C 0.114 175.158 174.900 0.240 0.000 1.195 58 G CA -0.689 44.532 45.100 0.201 0.000 0.843 58 G HN 0.788 nan 8.290 nan 0.000 0.545 59 K N 1.587 122.093 120.400 0.177 0.000 2.110 59 K HA 0.312 4.633 4.320 0.001 0.000 0.260 59 K C 1.430 178.000 176.600 -0.050 0.000 1.126 59 K CA 0.001 56.243 56.287 -0.076 0.000 1.005 59 K CB -0.046 32.413 32.500 -0.068 0.000 1.336 59 K HN 0.439 nan 8.250 nan 0.000 0.369 60 A N 3.178 125.983 122.820 -0.026 0.000 2.125 60 A HA 0.077 4.398 4.320 0.001 0.000 0.219 60 A C 0.885 178.468 177.584 -0.001 0.000 1.156 60 A CA 1.235 53.272 52.037 0.001 0.000 0.671 60 A CB -0.160 18.847 19.000 0.010 0.000 0.794 60 A HN 0.815 nan 8.150 nan 0.000 0.459 61 G N -2.590 106.216 108.800 0.010 0.000 2.321 61 G HA2 0.509 4.470 3.960 0.001 0.000 0.298 61 G HA3 0.509 4.470 3.960 0.001 0.000 0.298 61 G C -0.921 174.067 174.900 0.148 0.000 1.385 61 G CA 0.067 45.200 45.100 0.056 0.000 0.856 61 G HN 1.329 nan 8.290 nan 0.000 0.584 62 S N -0.154 115.639 115.700 0.156 0.000 2.626 62 S HA 0.642 5.113 4.470 0.001 0.000 0.275 62 S C -0.650 174.049 174.600 0.165 0.000 1.175 62 S CA -0.123 58.185 58.200 0.180 0.000 0.982 62 S CB 2.154 65.379 63.200 0.042 0.000 1.093 62 S HN 1.223 nan 8.310 nan 0.000 0.472 63 D N 2.008 122.558 120.400 0.251 0.000 2.446 63 D HA 0.313 4.953 4.640 0.001 0.000 0.288 63 D C 1.222 177.563 176.300 0.069 0.000 1.195 63 D CA -0.332 53.763 54.000 0.157 0.000 1.095 63 D CB -0.284 40.654 40.800 0.230 0.000 1.153 63 D HN 0.475 nan 8.370 nan 0.000 0.568 64 E N -0.906 119.317 120.200 0.038 0.000 2.058 64 E HA -0.162 4.189 4.350 0.001 0.000 0.194 64 E C 1.862 178.417 176.600 -0.075 0.000 0.997 64 E CA 1.752 58.142 56.400 -0.017 0.000 0.801 64 E CB 0.133 29.820 29.700 -0.022 0.000 0.746 64 E HN 0.419 nan 8.360 nan 0.000 0.450 65 R N -2.202 118.219 120.500 -0.132 0.000 2.453 65 R HA 0.253 4.593 4.340 0.001 0.000 0.233 65 R C -0.230 175.727 176.300 -0.572 0.000 0.895 65 R CA -0.247 55.624 56.100 -0.382 0.000 1.028 65 R CB 0.670 30.624 30.300 -0.577 0.000 1.255 65 R HN 0.002 nan 8.270 nan 0.000 0.571 66 F N 0.319 120.205 119.950 -0.108 0.000 2.557 66 F HA 0.394 4.921 4.527 0.001 0.000 0.336 66 F C 0.001 175.618 175.800 -0.304 0.000 1.058 66 F CA -1.049 56.795 58.000 -0.259 0.000 0.988 66 F CB 1.308 40.001 39.000 -0.512 0.000 1.275 66 F HN -0.286 nan 8.300 nan 0.000 0.488 67 D N 0.244 120.559 120.400 -0.142 0.000 2.505 67 D HA 0.294 4.935 4.640 0.001 0.000 0.249 67 D C -1.479 174.534 176.300 -0.479 0.000 1.082 67 D CA -0.281 53.563 54.000 -0.261 0.000 0.839 67 D CB 1.522 42.216 40.800 -0.176 0.000 1.317 67 D HN 0.251 nan 8.370 nan 0.000 0.497 68 Y N 1.409 121.542 120.300 -0.278 0.000 2.352 68 Y HA 0.473 5.023 4.550 0.001 0.000 0.339 68 Y C -0.256 175.406 175.900 -0.397 0.000 0.992 68 Y CA -0.837 57.162 58.100 -0.169 0.000 1.100 68 Y CB 1.136 39.561 38.460 -0.057 0.000 1.192 68 Y HN 0.175 nan 8.280 nan 0.000 0.458 69 F N 1.632 121.714 119.950 0.219 0.000 2.469 69 F HA 0.506 5.034 4.527 0.001 0.000 0.332 69 F C 0.005 175.889 175.800 0.141 0.000 1.103 69 F CA -0.937 57.155 58.000 0.154 0.000 0.979 69 F CB 1.813 40.891 39.000 0.129 0.000 1.137 69 F HN 0.396 nan 8.300 nan 0.000 0.463 70 E N 1.575 121.925 120.200 0.251 0.000 2.314 70 E HA 0.836 5.187 4.350 0.001 0.000 0.272 70 E C -1.647 175.004 176.600 0.084 0.000 0.884 70 E CA -0.875 55.602 56.400 0.129 0.000 0.753 70 E CB 2.365 32.096 29.700 0.051 0.000 1.213 70 E HN 0.764 nan 8.360 nan 0.000 0.432 71 A N 2.813 125.635 122.820 0.004 0.000 2.587 71 A HA 0.653 4.973 4.320 0.001 0.000 0.293 71 A C -2.052 175.435 177.584 -0.162 0.000 1.087 71 A CA -0.667 51.339 52.037 -0.053 0.000 0.692 71 A CB 1.436 20.411 19.000 -0.042 0.000 1.291 71 A HN 0.433 nan 8.150 nan 0.000 0.407 72 L N 0.715 121.840 121.223 -0.162 0.000 2.322 72 L HA 0.764 5.105 4.340 0.001 0.000 0.281 72 L C -1.506 175.191 176.870 -0.289 0.000 1.014 72 L CA -0.549 54.162 54.840 -0.215 0.000 0.815 72 L CB 1.353 43.332 42.059 -0.133 0.000 1.247 72 L HN 0.568 nan 8.230 nan 0.000 0.421 73 L N 4.695 125.674 121.223 -0.407 0.000 2.313 73 L HA 0.481 4.822 4.340 0.001 0.000 0.283 73 L C -0.328 176.373 176.870 -0.282 0.000 1.013 73 L CA -0.353 54.133 54.840 -0.591 0.000 0.816 73 L CB 1.558 43.056 42.059 -0.935 0.000 1.236 73 L HN 0.485 nan 8.230 nan 0.000 0.419 74 E N 2.651 122.828 120.200 -0.037 0.000 2.180 74 E HA 0.215 4.565 4.350 0.001 0.000 0.283 74 E C -0.771 175.906 176.600 0.129 0.000 1.061 74 E CA -0.044 56.391 56.400 0.059 0.000 0.861 74 E CB 1.044 30.812 29.700 0.113 0.000 1.056 74 E HN 0.461 nan 8.360 nan 0.000 0.407 75 C N 2.831 122.151 119.300 0.032 0.000 3.169 75 C HA 0.099 4.560 4.460 0.001 0.000 0.232 75 C C 1.849 176.841 174.990 0.004 0.000 1.316 75 C CA -0.575 58.468 59.018 0.041 0.000 1.545 75 C CB -1.154 26.580 27.740 -0.009 0.000 1.785 75 C HN 0.755 nan 8.230 nan 0.000 0.454 76 S N 0.787 116.497 115.700 0.018 0.000 2.402 76 S HA -0.222 4.249 4.470 0.001 0.000 0.233 76 S C 1.645 176.238 174.600 -0.012 0.000 1.030 76 S CA 2.347 60.547 58.200 0.001 0.000 1.003 76 S CB -0.778 62.428 63.200 0.011 0.000 0.813 76 S HN 0.774 nan 8.310 nan 0.000 0.477 77 T N 0.122 114.676 114.554 -0.001 0.000 2.951 77 T HA 0.126 4.477 4.350 0.001 0.000 0.268 77 T C 0.766 175.414 174.700 -0.086 0.000 1.073 77 T CA 0.861 62.959 62.100 -0.003 0.000 1.134 77 T CB -0.635 68.260 68.868 0.045 0.000 0.884 77 T HN 0.593 nan 8.240 nan 0.000 0.479 78 K N 0.210 120.537 120.400 -0.122 0.000 3.423 78 K HA -0.134 4.187 4.320 0.001 0.000 0.306 78 K C -0.397 176.046 176.600 -0.262 0.000 1.331 78 K CA 0.494 56.618 56.287 -0.273 0.000 0.905 78 K CB -1.325 30.855 32.500 -0.534 0.000 1.332 78 K HN 0.485 nan 8.250 nan 0.000 0.473 79 R N 0.106 120.574 120.500 -0.053 0.000 2.604 79 R HA 0.682 5.022 4.340 0.001 0.000 0.281 79 R C -1.348 175.017 176.300 0.108 0.000 1.020 79 R CA -0.842 55.297 56.100 0.066 0.000 0.899 79 R CB 2.843 33.224 30.300 0.134 0.000 1.205 79 R HN -0.005 nan 8.270 nan 0.000 0.450 80 V N 2.217 122.226 119.914 0.159 0.000 3.077 80 V HA 0.541 4.662 4.120 0.001 0.000 0.299 80 V C -1.793 174.441 176.094 0.233 0.000 1.276 80 V CA -0.755 61.663 62.300 0.196 0.000 0.993 80 V CB 2.422 34.362 31.823 0.196 0.000 1.076 80 V HN 0.807 nan 8.190 nan 0.000 0.434 81 K N 5.215 125.740 120.400 0.209 0.000 2.397 81 K HA 0.770 5.090 4.320 0.001 0.000 0.253 81 K C -1.682 175.046 176.600 0.215 0.000 0.932 81 K CA -0.620 55.741 56.287 0.123 0.000 0.795 81 K CB 2.146 34.648 32.500 0.004 0.000 1.159 81 K HN 0.850 nan 8.250 nan 0.000 0.424 82 Y N -1.414 118.898 120.300 0.019 0.000 2.597 82 Y HA 0.752 5.303 4.550 0.001 0.000 0.340 82 Y C -1.626 174.221 175.900 -0.088 0.000 1.097 82 Y CA -1.419 56.650 58.100 -0.052 0.000 1.037 82 Y CB 1.752 40.104 38.460 -0.179 0.000 1.305 82 Y HN 0.362 nan 8.280 nan 0.000 0.463 83 V N 2.754 122.639 119.914 -0.047 0.000 2.888 83 V HA 0.617 4.738 4.120 0.001 0.000 0.309 83 V C -1.767 174.294 176.094 -0.055 0.000 1.114 83 V CA -1.087 61.194 62.300 -0.031 0.000 0.940 83 V CB 1.782 33.640 31.823 0.058 0.000 1.021 83 V HN 0.716 nan 8.190 nan 0.000 0.426 84 F N 5.501 125.543 119.950 0.153 0.000 2.377 84 F HA 0.598 5.126 4.527 0.001 0.000 0.328 84 F C 0.181 176.024 175.800 0.071 0.000 1.094 84 F CA -0.614 57.462 58.000 0.127 0.000 1.093 84 F CB 1.495 40.603 39.000 0.180 0.000 1.214 84 F HN 0.294 nan 8.300 nan 0.000 0.518 85 L N 4.757 126.057 121.223 0.127 0.000 2.366 85 L HA 0.476 4.816 4.340 0.001 0.000 0.266 85 L C -1.497 175.336 176.870 -0.062 0.000 1.010 85 L CA -0.411 54.335 54.840 -0.157 0.000 0.879 85 L CB 0.512 42.403 42.059 -0.280 0.000 1.228 85 L HN 0.527 nan 8.230 nan 0.000 0.439 86 L N 3.720 124.925 121.223 -0.031 0.000 2.289 86 L HA 0.532 4.872 4.340 0.001 0.000 0.285 86 L C -0.014 176.807 176.870 -0.081 0.000 1.049 86 L CA -0.377 54.425 54.840 -0.062 0.000 0.804 86 L CB 1.633 43.672 42.059 -0.033 0.000 1.195 86 L HN 0.438 nan 8.230 nan 0.000 0.428 87 T N 1.518 116.018 114.554 -0.090 0.000 2.797 87 T HA 0.503 4.854 4.350 0.001 0.000 0.279 87 T C 0.489 175.158 174.700 -0.052 0.000 0.991 87 T CA -0.518 61.545 62.100 -0.062 0.000 0.979 87 T CB 1.837 70.677 68.868 -0.046 0.000 0.943 87 T HN 0.758 nan 8.240 nan 0.000 0.444 88 G N 2.225 111.002 108.800 -0.038 0.000 2.563 88 G HA2 0.393 4.354 3.960 0.001 0.000 0.283 88 G HA3 0.393 4.354 3.960 0.001 0.000 0.283 88 G C -1.734 173.161 174.900 -0.009 0.000 1.309 88 G CA -1.468 43.616 45.100 -0.027 0.000 1.022 88 G HN 0.422 nan 8.290 nan 0.000 0.501 89 P HA 0.048 nan 4.420 nan 0.000 0.239 89 P C 0.183 177.485 177.300 0.003 0.000 1.184 89 P CA 0.954 64.059 63.100 0.007 0.000 0.760 89 P CB 0.270 31.974 31.700 0.007 0.000 0.884 90 Q N -1.458 118.341 119.800 -0.002 0.000 2.903 90 Q HA 0.364 4.704 4.340 0.001 0.000 0.342 90 Q C 0.836 176.835 176.000 -0.002 0.000 0.808 90 Q CA -0.024 55.779 55.803 -0.001 0.000 1.004 90 Q CB 0.506 29.242 28.738 -0.003 0.000 1.470 90 Q HN 0.091 nan 8.270 nan 0.000 0.387 91 G N 1.567 110.367 108.800 -0.001 0.000 2.413 91 G HA2 -0.421 3.540 3.960 0.001 0.000 0.259 91 G HA3 -0.421 3.540 3.960 0.001 0.000 0.259 91 G C 0.217 175.115 174.900 -0.004 0.000 1.003 91 G CA 1.083 46.182 45.100 -0.000 0.000 0.629 91 G HN 0.633 nan 8.290 nan 0.000 0.548 92 E N 0.839 121.034 120.200 -0.007 0.000 2.652 92 E HA 0.446 4.797 4.350 0.001 0.000 0.255 92 E C 0.385 176.975 176.600 -0.017 0.000 0.952 92 E CA 0.199 56.594 56.400 -0.009 0.000 0.947 92 E CB 0.530 30.220 29.700 -0.017 0.000 0.912 92 E HN 1.110 nan 8.360 nan 0.000 0.489 93 A N 3.336 126.152 122.820 -0.007 0.000 2.346 93 A HA 0.818 5.139 4.320 0.001 0.000 0.313 93 A C -0.732 176.854 177.584 0.003 0.000 1.140 93 A CA -0.632 51.388 52.037 -0.028 0.000 0.826 93 A CB 2.314 21.289 19.000 -0.040 0.000 1.332 93 A HN 0.791 nan 8.150 nan 0.000 0.457 94 V N -0.234 119.668 119.914 -0.020 0.000 3.036 94 V HA 0.488 4.608 4.120 0.001 0.000 0.280 94 V C -2.339 173.820 176.094 0.107 0.000 1.497 94 V CA -0.680 61.685 62.300 0.109 0.000 0.982 94 V CB 1.488 33.383 31.823 0.119 0.000 1.171 94 V HN 0.870 nan 8.190 nan 0.000 0.444 95 Y N 5.182 125.607 120.300 0.209 0.000 2.334 95 Y HA 0.635 5.185 4.550 0.001 0.000 0.328 95 Y C -0.190 175.921 175.900 0.352 0.000 1.130 95 Y CA -0.565 57.676 58.100 0.236 0.000 1.163 95 Y CB 1.693 40.233 38.460 0.133 0.000 1.207 95 Y HN 0.647 nan 8.280 nan 0.000 0.471 96 F N 2.535 122.664 119.950 0.299 0.000 2.499 96 F HA 0.751 5.278 4.527 0.001 0.000 0.333 96 F C -0.071 175.801 175.800 0.121 0.000 1.138 96 F CA -0.391 57.676 58.000 0.112 0.000 0.945 96 F CB 0.826 39.970 39.000 0.239 0.000 1.181 96 F HN 0.625 nan 8.300 nan 0.000 0.435 97 G N 3.595 112.298 108.800 -0.161 0.000 3.022 97 G HA2 0.141 4.101 3.960 0.001 0.000 0.284 97 G HA3 0.141 4.101 3.960 0.001 0.000 0.284 97 G C -0.192 173.986 174.900 -1.204 0.000 1.375 97 G CA -0.534 44.141 45.100 -0.707 0.000 0.902 97 G HN 0.664 nan 8.290 nan 0.000 0.538 98 E N -1.148 118.229 120.200 -1.372 0.000 2.333 98 E HA -0.093 4.258 4.350 0.001 0.000 0.198 98 E C 1.954 178.280 176.600 -0.457 0.000 1.007 98 E CA 1.544 57.336 56.400 -1.012 0.000 0.845 98 E CB 0.104 29.387 29.700 -0.695 0.000 0.766 98 E HN 0.433 nan 8.360 nan 0.000 0.507 99 T N -0.759 113.580 114.554 -0.357 0.000 2.937 99 T HA 0.247 4.598 4.350 0.001 0.000 0.260 99 T C 0.681 175.297 174.700 -0.139 0.000 1.051 99 T CA 0.638 62.621 62.100 -0.194 0.000 1.141 99 T CB 0.632 69.412 68.868 -0.148 0.000 0.879 99 T HN 0.401 nan 8.240 nan 0.000 0.459 100 G N 0.316 109.011 108.800 -0.174 0.000 2.373 100 G HA2 0.335 4.296 3.960 0.001 0.000 0.250 100 G HA3 0.335 4.296 3.960 0.001 0.000 0.250 100 G C -1.922 172.816 174.900 -0.270 0.000 1.304 100 G CA -1.123 43.867 45.100 -0.182 0.000 0.948 100 G HN 0.161 nan 8.290 nan 0.000 0.474 101 F N 1.242 121.258 119.950 0.110 0.000 2.436 101 F HA 0.798 5.325 4.527 0.001 0.000 0.340 101 F C 0.691 176.543 175.800 0.087 0.000 1.113 101 F CA -0.286 57.777 58.000 0.105 0.000 1.022 101 F CB 2.303 41.311 39.000 0.013 0.000 1.128 101 F HN 0.527 nan 8.300 nan 0.000 0.466 102 S N 1.150 117.023 115.700 0.288 0.000 2.556 102 S HA 0.707 5.178 4.470 0.001 0.000 0.271 102 S C 0.193 174.936 174.600 0.239 0.000 1.135 102 S CA -0.135 58.179 58.200 0.189 0.000 0.858 102 S CB 1.637 64.892 63.200 0.091 0.000 1.114 102 S HN 0.738 nan 8.310 nan 0.000 0.468 103 A N 2.023 124.947 122.820 0.173 0.000 2.208 103 A HA 0.313 4.633 4.320 0.001 0.000 0.209 103 A C 0.263 177.948 177.584 0.168 0.000 1.161 103 A CA 0.313 52.477 52.037 0.212 0.000 0.782 103 A CB -0.208 18.870 19.000 0.130 0.000 0.816 103 A HN 0.785 nan 8.150 nan 0.000 0.477 104 E N -0.184 120.026 120.200 0.017 0.000 2.114 104 E HA 0.302 4.653 4.350 0.001 0.000 0.266 104 E C 0.360 176.722 176.600 -0.397 0.000 0.896 104 E CA -0.658 55.641 56.400 -0.168 0.000 0.750 104 E CB 1.375 31.016 29.700 -0.097 0.000 1.121 104 E HN 0.387 nan 8.360 nan 0.000 0.413 105 R N 2.467 122.367 120.500 -1.000 0.000 2.196 105 R HA -0.305 4.035 4.340 0.001 0.000 0.259 105 R C 1.915 177.982 176.300 -0.388 0.000 1.154 105 R CA 2.707 58.171 56.100 -1.060 0.000 0.976 105 R CB -0.222 29.461 30.300 -1.028 0.000 0.888 105 R HN 0.613 nan 8.270 nan 0.000 0.453 106 S N 0.368 115.900 115.700 -0.281 0.000 2.351 106 S HA -0.186 4.284 4.470 0.001 0.000 0.220 106 S C 1.713 176.236 174.600 -0.128 0.000 1.035 106 S CA 1.542 59.642 58.200 -0.166 0.000 1.031 106 S CB -0.356 62.768 63.200 -0.127 0.000 0.928 106 S HN 0.463 nan 8.310 nan 0.000 0.433 107 K N 1.737 122.074 120.400 -0.106 0.000 2.360 107 K HA 0.179 4.500 4.320 0.001 0.000 0.201 107 K C 2.178 178.743 176.600 -0.059 0.000 1.046 107 K CA 0.834 57.081 56.287 -0.067 0.000 0.945 107 K CB -0.384 32.094 32.500 -0.036 0.000 0.750 107 K HN 0.544 nan 8.250 nan 0.000 0.464 108 A N 1.192 123.974 122.820 -0.062 0.000 2.072 108 A HA 0.225 4.545 4.320 0.001 0.000 0.216 108 A C 1.126 178.625 177.584 -0.141 0.000 1.156 108 A CA 0.935 52.946 52.037 -0.044 0.000 0.701 108 A CB -0.352 18.691 19.000 0.072 0.000 0.816 108 A HN 0.389 nan 8.150 nan 0.000 0.458 109 G N -1.985 106.721 108.800 -0.156 0.000 2.568 109 G HA2 0.121 4.081 3.960 0.001 0.000 0.222 109 G HA3 0.121 4.081 3.960 0.001 0.000 0.222 109 G C -0.269 174.475 174.900 -0.260 0.000 1.321 109 G CA 0.109 45.079 45.100 -0.217 0.000 0.893 109 G HN 1.694 nan 8.290 nan 0.000 0.569 110 V N -0.206 119.497 119.914 -0.352 0.000 2.809 110 V HA 0.549 4.669 4.120 0.001 0.000 0.290 110 V C -0.224 175.598 176.094 -0.453 0.000 1.305 110 V CA -0.903 61.178 62.300 -0.364 0.000 0.939 110 V CB 0.730 32.429 31.823 -0.206 0.000 1.081 110 V HN 1.174 nan 8.190 nan 0.000 0.439 111 F N 4.551 124.173 119.950 -0.547 0.000 2.589 111 F HA 0.393 4.921 4.527 0.001 0.000 0.352 111 F C 0.978 176.465 175.800 -0.522 0.000 1.168 111 F CA 0.714 58.342 58.000 -0.621 0.000 1.353 111 F CB 0.547 38.961 39.000 -0.978 0.000 1.116 111 F HN 0.465 nan 8.300 nan 0.000 0.608 112 Q N 1.693 121.490 119.800 -0.005 0.000 2.323 112 Q HA 0.250 4.591 4.340 0.001 0.000 0.271 112 Q C -1.760 174.376 176.000 0.227 0.000 1.048 112 Q CA -0.890 54.964 55.803 0.086 0.000 0.792 112 Q CB 2.639 31.378 28.738 0.002 0.000 1.280 112 Q HN 0.612 nan 8.270 nan 0.000 0.441 113 Y N 1.279 121.685 120.300 0.178 0.000 2.919 113 Y HA 0.357 4.907 4.550 0.001 0.000 0.341 113 Y C 0.894 176.866 175.900 0.121 0.000 1.045 113 Y CA -0.203 57.994 58.100 0.162 0.000 1.218 113 Y CB 0.331 38.891 38.460 0.168 0.000 1.137 113 Y HN 0.954 nan 8.280 nan 0.000 0.577 114 A N 4.197 127.006 122.820 -0.018 0.000 1.944 114 A HA -0.255 4.065 4.320 0.001 0.000 0.222 114 A C -0.097 177.597 177.584 0.183 0.000 1.237 114 A CA 2.409 54.476 52.037 0.050 0.000 0.668 114 A CB -0.600 18.406 19.000 0.011 0.000 0.830 114 A HN 0.728 nan 8.150 nan 0.000 0.471 115 Y N -3.261 117.008 120.300 -0.052 0.000 2.573 115 Y HA 0.490 5.040 4.550 0.001 0.000 0.328 115 Y C -1.367 174.538 175.900 0.009 0.000 1.170 115 Y CA -1.023 57.047 58.100 -0.050 0.000 1.078 115 Y CB 1.071 39.411 38.460 -0.200 0.000 1.341 115 Y HN 0.066 nan 8.280 nan 0.000 0.459 116 I N 5.556 125.997 120.570 -0.216 0.000 2.412 116 I HA 0.247 4.418 4.170 0.001 0.000 0.279 116 I C -0.788 175.316 176.117 -0.022 0.000 1.063 116 I CA -0.475 60.844 61.300 0.033 0.000 1.193 116 I CB 0.309 38.306 38.000 -0.006 0.000 1.370 116 I HN 0.589 nan 8.210 nan 0.000 0.479 117 H N 4.408 123.661 119.070 0.305 0.000 2.764 117 H HA 0.123 4.679 4.556 0.001 0.000 0.341 117 H C 1.485 176.917 175.328 0.173 0.000 1.072 117 H CA -0.184 56.040 56.048 0.292 0.000 1.444 117 H CB 0.947 30.854 29.762 0.242 0.000 1.458 117 H HN 0.481 nan 8.280 nan 0.000 0.572 118 R N 1.034 121.682 120.500 0.248 0.000 2.152 118 R HA -0.131 4.209 4.340 0.001 0.000 0.232 118 R C 1.431 177.824 176.300 0.155 0.000 1.117 118 R CA 1.601 57.798 56.100 0.162 0.000 0.981 118 R CB -0.208 30.167 30.300 0.125 0.000 0.870 118 R HN 0.574 nan 8.270 nan 0.000 0.451 119 S N 0.166 115.967 115.700 0.169 0.000 2.555 119 S HA -0.009 4.461 4.470 0.001 0.000 0.230 119 S C 0.891 175.558 174.600 0.112 0.000 0.978 119 S CA 0.514 58.784 58.200 0.118 0.000 0.934 119 S CB 0.135 63.386 63.200 0.086 0.000 0.766 119 S HN 0.567 nan 8.310 nan 0.000 0.533 120 E N 0.728 121.023 120.200 0.159 0.000 2.548 120 E HA 0.224 4.575 4.350 0.001 0.000 0.206 120 E C -0.925 175.773 176.600 0.165 0.000 1.005 120 E CA -0.221 56.266 56.400 0.145 0.000 0.951 120 E CB 1.070 30.883 29.700 0.189 0.000 1.035 120 E HN 0.308 nan 8.360 nan 0.000 0.470 121 V N 2.304 122.316 119.914 0.164 0.000 2.427 121 V HA 0.055 4.176 4.120 0.001 0.000 0.268 121 V C 0.137 176.364 176.094 0.222 0.000 1.046 121 V CA -0.249 62.161 62.300 0.184 0.000 0.970 121 V CB -0.106 31.804 31.823 0.144 0.000 1.001 121 V HN 0.268 nan 8.190 nan 0.000 0.476 122 F N 4.666 124.653 119.950 0.062 0.000 2.539 122 F HA 0.021 4.548 4.527 0.001 0.000 0.393 122 F C 0.639 176.450 175.800 0.019 0.000 1.032 122 F CA 0.369 58.384 58.000 0.024 0.000 1.120 122 F CB 0.257 39.242 39.000 -0.025 0.000 1.014 122 F HN 0.499 nan 8.300 nan 0.000 0.546 123 T N 3.894 118.721 114.554 0.454 0.000 2.812 123 T HA 0.369 4.720 4.350 0.001 0.000 0.282 123 T C -0.244 174.586 174.700 0.216 0.000 0.990 123 T CA -0.708 61.534 62.100 0.236 0.000 0.960 123 T CB 1.525 70.481 68.868 0.146 0.000 0.948 123 T HN 0.621 nan 8.240 nan 0.000 0.438 124 T N 0.803 115.414 114.554 0.094 0.000 2.908 124 T HA 0.694 5.044 4.350 0.001 0.000 0.290 124 T C -2.939 171.738 174.700 -0.038 0.000 1.034 124 T CA -2.457 59.666 62.100 0.037 0.000 1.010 124 T CB 1.275 70.122 68.868 -0.034 0.000 1.068 124 T HN 0.235 nan 8.240 nan 0.000 0.481 125 P HA 0.086 nan 4.420 nan 0.000 0.263 125 P C 0.606 177.788 177.300 -0.197 0.000 1.175 125 P CA 0.067 63.080 63.100 -0.145 0.000 0.761 125 P CB 0.701 32.227 31.700 -0.290 0.000 0.794 126 E N 2.258 122.428 120.200 -0.051 0.000 2.208 126 E HA -0.112 4.239 4.350 0.001 0.000 0.193 126 E C 1.868 178.487 176.600 0.032 0.000 0.988 126 E CA 1.156 57.552 56.400 -0.007 0.000 0.828 126 E CB -0.302 29.431 29.700 0.055 0.000 0.763 126 E HN 0.719 nan 8.360 nan 0.000 0.478 127 W N 0.337 121.649 121.300 0.020 0.000 2.436 127 W HA 0.150 4.811 4.660 0.001 0.000 0.284 127 W C 1.574 178.110 176.519 0.029 0.000 1.225 127 W CA 0.845 58.200 57.345 0.016 0.000 1.271 127 W CB -0.672 28.796 29.460 0.013 0.000 1.114 127 W HN -0.035 nan 8.180 nan 0.000 0.559 128 A N 1.545 123.857 122.820 -0.847 0.000 2.209 128 A HA -0.063 4.258 4.320 0.001 0.000 0.212 128 A C 2.026 179.428 177.584 -0.302 0.000 1.158 128 A CA 0.912 52.432 52.037 -0.862 0.000 0.742 128 A CB -0.544 17.756 19.000 -1.167 0.000 0.790 128 A HN 0.345 nan 8.150 nan 0.000 0.472 129 K N 0.145 120.434 120.400 -0.185 0.000 2.296 129 K HA -0.070 4.250 4.320 0.001 0.000 0.200 129 K C 0.467 177.035 176.600 -0.053 0.000 1.048 129 K CA 1.298 57.520 56.287 -0.108 0.000 0.966 129 K CB 0.102 32.553 32.500 -0.082 0.000 0.754 129 K HN 0.832 nan 8.250 nan 0.000 0.466 130 E N 0.248 120.451 120.200 0.005 0.000 3.858 130 E HA 0.360 4.711 4.350 0.001 0.000 0.208 130 E C -0.899 175.768 176.600 0.111 0.000 1.041 130 E CA -0.480 55.946 56.400 0.044 0.000 1.368 130 E CB 0.948 30.687 29.700 0.064 0.000 1.176 130 E HN 0.010 nan 8.360 nan 0.000 0.448 131 A N 0.571 123.443 122.820 0.087 0.000 2.311 131 A HA 0.668 4.989 4.320 0.001 0.000 0.334 131 A C -0.460 177.143 177.584 0.032 0.000 1.139 131 A CA -0.704 51.421 52.037 0.146 0.000 0.830 131 A CB 1.725 20.885 19.000 0.268 0.000 1.234 131 A HN 0.172 nan 8.150 nan 0.000 0.483 132 V N 2.596 122.546 119.914 0.061 0.000 2.409 132 V HA 0.324 4.445 4.120 0.001 0.000 0.290 132 V C -0.501 175.581 176.094 -0.019 0.000 1.017 132 V CA -0.011 62.273 62.300 -0.028 0.000 0.841 132 V CB 0.830 32.641 31.823 -0.021 0.000 1.003 132 V HN 0.707 nan 8.190 nan 0.000 0.426 133 I N 4.351 124.837 120.570 -0.140 0.000 2.498 133 I HA 0.456 4.627 4.170 0.001 0.000 0.301 133 I C -0.905 175.185 176.117 -0.045 0.000 0.984 133 I CA -0.820 60.386 61.300 -0.156 0.000 1.204 133 I CB 1.524 39.227 38.000 -0.497 0.000 1.362 133 I HN 0.562 nan 8.210 nan 0.000 0.471 134 Y N 4.819 125.043 120.300 -0.127 0.000 2.328 134 Y HA 0.275 4.825 4.550 0.001 0.000 0.336 134 Y C -0.166 175.662 175.900 -0.120 0.000 0.960 134 Y CA -0.525 57.523 58.100 -0.086 0.000 1.134 134 Y CB 1.302 39.709 38.460 -0.087 0.000 1.166 134 Y HN 0.502 nan 8.280 nan 0.000 0.464 135 Q N 6.835 126.502 119.800 -0.221 0.000 2.314 135 Q HA 0.354 4.694 4.340 0.001 0.000 0.257 135 Q C -1.321 174.505 176.000 -0.290 0.000 0.975 135 Q CA -0.501 55.225 55.803 -0.128 0.000 0.933 135 Q CB 0.599 29.461 28.738 0.207 0.000 1.195 135 Q HN 0.617 nan 8.270 nan 0.000 0.426 136 I N 5.210 125.508 120.570 -0.453 0.000 2.321 136 I HA 0.197 4.367 4.170 0.001 0.000 0.291 136 I C -0.627 175.277 176.117 -0.355 0.000 0.998 136 I CA -0.523 60.459 61.300 -0.529 0.000 1.227 136 I CB 0.848 38.331 38.000 -0.861 0.000 1.368 136 I HN 0.676 nan 8.210 nan 0.000 0.466 137 F N 10.210 129.885 119.950 -0.458 0.000 2.291 137 F HA 0.385 4.912 4.527 0.001 0.000 0.368 137 F C -1.267 174.394 175.800 -0.231 0.000 1.085 137 F CA -1.887 55.937 58.000 -0.294 0.000 1.165 137 F CB 0.734 39.632 39.000 -0.170 0.000 1.429 137 F HN 0.331 nan 8.300 nan 0.000 0.503 138 P HA -0.337 nan 4.420 nan 0.000 0.221 138 P C 1.275 178.594 177.300 0.032 0.000 1.160 138 P CA 1.689 64.590 63.100 -0.333 0.000 0.933 138 P CB 0.253 31.307 31.700 -1.075 0.000 0.793 139 E N -0.842 119.483 120.200 0.207 0.000 2.331 139 E HA -0.173 4.178 4.350 0.001 0.000 0.199 139 E C 1.603 178.494 176.600 0.484 0.000 1.008 139 E CA 0.961 57.691 56.400 0.549 0.000 0.843 139 E CB -0.109 29.913 29.700 0.536 0.000 0.761 139 E HN 0.109 nan 8.360 nan 0.000 0.507 140 R N -1.949 118.782 120.500 0.384 0.000 2.476 140 R HA 0.193 4.533 4.340 0.001 0.000 0.276 140 R C 1.264 177.699 176.300 0.225 0.000 0.941 140 R CA -0.165 56.046 56.100 0.185 0.000 1.088 140 R CB -0.241 30.146 30.300 0.145 0.000 1.216 140 R HN 0.101 nan 8.270 nan 0.000 0.533 141 F N -0.118 119.937 119.950 0.174 0.000 2.188 141 F HA 0.446 4.973 4.527 0.001 0.000 0.289 141 F C 0.078 176.278 175.800 0.668 0.000 1.082 141 F CA 0.543 58.693 58.000 0.251 0.000 1.282 141 F CB 0.501 39.553 39.000 0.087 0.000 1.060 141 F HN -0.081 nan 8.300 nan 0.000 0.493 142 A N 0.640 123.756 122.820 0.494 0.000 2.491 142 A HA 0.332 4.653 4.320 0.001 0.000 0.293 142 A C -1.594 175.980 177.584 -0.016 0.000 1.047 142 A CA -0.646 51.437 52.037 0.077 0.000 0.735 142 A CB 0.284 19.206 19.000 -0.129 0.000 1.281 142 A HN 0.164 nan 8.150 nan 0.000 0.398 143 N N 2.086 120.554 118.700 -0.387 0.000 2.868 143 N HA 0.304 5.044 4.740 0.001 0.000 0.252 143 N C 1.145 176.544 175.510 -0.185 0.000 1.130 143 N CA 0.528 53.476 53.050 -0.169 0.000 1.026 143 N CB 0.865 39.238 38.487 -0.190 0.000 1.335 143 N HN 0.765 nan 8.380 nan 0.000 0.516 144 G N 0.827 109.569 108.800 -0.097 0.000 2.623 144 G HA2 -0.102 3.858 3.960 0.001 0.000 0.214 144 G HA3 -0.102 3.858 3.960 0.001 0.000 0.214 144 G C 0.114 174.978 174.900 -0.061 0.000 1.138 144 G CA 0.098 45.133 45.100 -0.108 0.000 0.794 144 G HN 0.498 nan 8.290 nan 0.000 0.535 145 D N -0.813 119.577 120.400 -0.017 0.000 2.389 145 D HA 0.350 4.991 4.640 0.001 0.000 0.256 145 D C -2.002 174.306 176.300 0.013 0.000 1.239 145 D CA -2.068 51.932 54.000 0.000 0.000 0.925 145 D CB 2.018 42.833 40.800 0.025 0.000 1.145 145 D HN -0.120 nan 8.370 nan 0.000 0.542 146 P HA -0.100 nan 4.420 nan 0.000 0.220 146 P C 1.317 178.625 177.300 0.012 0.000 1.148 146 P CA 0.860 63.965 63.100 0.010 0.000 0.803 146 P CB 0.264 31.961 31.700 -0.006 0.000 0.782 147 S N -0.049 115.655 115.700 0.006 0.000 2.481 147 S HA -0.107 4.363 4.470 0.001 0.000 0.231 147 S C 1.412 176.011 174.600 -0.001 0.000 0.996 147 S CA 1.031 59.232 58.200 0.002 0.000 0.942 147 S CB -1.263 61.937 63.200 -0.000 0.000 0.768 147 S HN 0.197 nan 8.310 nan 0.000 0.520 148 N N 0.611 119.316 118.700 0.008 0.000 2.235 148 N HA 0.181 4.922 4.740 0.001 0.000 0.209 148 N C -1.175 174.321 175.510 -0.023 0.000 1.122 148 N CA -0.397 52.651 53.050 -0.004 0.000 0.845 148 N CB -0.467 38.031 38.487 0.017 0.000 1.004 148 N HN 0.129 nan 8.380 nan 0.000 0.499 149 D N 1.822 122.217 120.400 -0.008 0.000 2.423 149 D HA 0.172 4.812 4.640 0.001 0.000 0.238 149 D C -1.971 174.264 176.300 -0.107 0.000 1.142 149 D CA -0.702 53.288 54.000 -0.016 0.000 0.884 149 D CB 0.377 41.194 40.800 0.030 0.000 1.199 149 D HN 0.215 nan 8.370 nan 0.000 0.438 150 P HA 0.241 nan 4.420 nan 0.000 0.274 150 P C -2.559 174.608 177.300 -0.221 0.000 1.256 150 P CA -1.035 61.830 63.100 -0.392 0.000 0.795 150 P CB -0.072 31.039 31.700 -0.981 0.000 1.038 151 P HA 0.224 nan 4.420 nan 0.000 0.278 151 P C 0.407 177.682 177.300 -0.042 0.000 1.238 151 P CA 0.344 63.392 63.100 -0.086 0.000 0.794 151 P CB 0.292 31.952 31.700 -0.067 0.000 0.955 152 G N 0.731 109.525 108.800 -0.010 0.000 2.198 152 G HA2 -0.207 3.753 3.960 0.001 0.000 0.257 152 G HA3 -0.207 3.753 3.960 0.001 0.000 0.257 152 G C 0.188 175.095 174.900 0.013 0.000 1.042 152 G CA -0.126 44.981 45.100 0.013 0.000 0.791 152 G HN 0.599 nan 8.290 nan 0.000 0.502 153 T N 0.732 115.289 114.554 0.005 0.000 2.901 153 T HA 0.414 4.764 4.350 0.001 0.000 0.301 153 T C 0.732 175.390 174.700 -0.070 0.000 1.012 153 T CA 0.359 62.455 62.100 -0.007 0.000 1.135 153 T CB 1.222 70.125 68.868 0.058 0.000 0.936 153 T HN 0.489 nan 8.240 nan 0.000 0.539 154 E N 1.503 121.555 120.200 -0.247 0.000 2.292 154 E HA 0.228 4.578 4.350 0.001 0.000 0.258 154 E C 0.083 176.678 176.600 -0.008 0.000 1.115 154 E CA -0.980 55.297 56.400 -0.204 0.000 0.929 154 E CB 0.570 30.040 29.700 -0.382 0.000 1.161 154 E HN 0.445 nan 8.360 nan 0.000 0.453 155 Q N 0.769 120.627 119.800 0.097 0.000 2.361 155 Q HA -0.065 4.276 4.340 0.001 0.000 0.276 155 Q C -0.671 175.548 176.000 0.366 0.000 1.022 155 Q CA 0.496 56.426 55.803 0.212 0.000 0.898 155 Q CB 0.457 29.285 28.738 0.151 0.000 1.246 155 Q HN 0.542 nan 8.270 nan 0.000 0.410 156 W N 2.922 124.344 121.300 0.203 0.000 1.978 156 W HA 0.476 5.137 4.660 0.001 0.000 0.373 156 W C -1.117 175.461 176.519 0.097 0.000 0.813 156 W CA -0.513 56.947 57.345 0.191 0.000 1.571 156 W CB 0.062 29.622 29.460 0.166 0.000 1.746 156 W HN 0.534 nan 8.180 nan 0.000 0.302 157 A N 3.032 125.963 122.820 0.185 0.000 2.387 157 A HA 0.381 4.702 4.320 0.001 0.000 0.303 157 A C 0.982 178.573 177.584 0.012 0.000 1.145 157 A CA -0.623 51.488 52.037 0.122 0.000 0.801 157 A CB 1.783 20.841 19.000 0.097 0.000 1.342 157 A HN 0.442 nan 8.150 nan 0.000 0.440 158 K N -0.372 120.033 120.400 0.008 0.000 2.217 158 K HA -0.122 4.199 4.320 0.001 0.000 0.202 158 K C 0.391 176.958 176.600 -0.055 0.000 1.051 158 K CA 1.858 58.120 56.287 -0.042 0.000 0.952 158 K CB -0.087 32.394 32.500 -0.031 0.000 0.736 158 K HN 0.789 nan 8.250 nan 0.000 0.453 159 D N 0.087 120.471 120.400 -0.026 0.000 2.319 159 D HA 0.077 4.717 4.640 0.001 0.000 0.230 159 D C -0.057 176.230 176.300 -0.022 0.000 1.094 159 D CA -0.244 53.741 54.000 -0.025 0.000 0.856 159 D CB 0.316 41.111 40.800 -0.008 0.000 0.915 159 D HN 0.185 nan 8.370 nan 0.000 0.517 160 A N 0.983 123.781 122.820 -0.036 0.000 2.477 160 A HA 0.470 4.790 4.320 0.001 0.000 0.246 160 A C 0.297 177.855 177.584 -0.043 0.000 1.078 160 A CA -0.468 51.564 52.037 -0.009 0.000 0.770 160 A CB 0.375 19.355 19.000 -0.033 0.000 1.011 160 A HN 0.139 nan 8.150 nan 0.000 0.494 161 R N 2.627 123.133 120.500 0.010 0.000 2.513 161 R HA 0.308 4.648 4.340 0.001 0.000 0.283 161 R C -2.990 173.316 176.300 0.010 0.000 1.535 161 R CA -1.607 54.481 56.100 -0.020 0.000 1.315 161 R CB 0.460 30.743 30.300 -0.027 0.000 1.163 161 R HN 0.512 nan 8.270 nan 0.000 0.573 162 P HA 0.029 nan 4.420 nan 0.000 0.267 162 P C 0.011 177.264 177.300 -0.079 0.000 1.195 162 P CA 0.194 63.319 63.100 0.043 0.000 0.773 162 P CB 0.804 32.512 31.700 0.013 0.000 0.837 163 R N 0.803 121.235 120.500 -0.112 0.000 2.875 163 R HA 0.304 4.645 4.340 0.001 0.000 0.251 163 R C 1.425 177.600 176.300 -0.209 0.000 1.123 163 R CA -0.827 55.176 56.100 -0.162 0.000 1.064 163 R CB 0.525 30.774 30.300 -0.086 0.000 1.205 163 R HN 0.580 nan 8.270 nan 0.000 0.503 164 H N 0.968 120.015 119.070 -0.038 0.000 2.518 164 H HA -0.102 4.455 4.556 0.001 0.000 0.289 164 H C 0.464 175.760 175.328 -0.052 0.000 1.051 164 H CA 1.484 57.543 56.048 0.018 0.000 1.280 164 H CB 0.283 30.091 29.762 0.075 0.000 1.380 164 H HN 0.584 nan 8.280 nan 0.000 0.566 165 D N -0.812 119.556 120.400 -0.053 0.000 2.500 165 D HA 0.030 4.671 4.640 0.001 0.000 0.217 165 D C 0.319 176.383 176.300 -0.395 0.000 1.159 165 D CA -0.130 53.771 54.000 -0.165 0.000 0.828 165 D CB 0.049 40.837 40.800 -0.021 0.000 1.039 165 D HN -0.129 nan 8.370 nan 0.000 0.512 166 S N 0.156 115.622 115.700 -0.389 0.000 2.576 166 S HA 0.349 4.819 4.470 0.001 0.000 0.272 166 S C -0.339 173.936 174.600 -0.543 0.000 1.352 166 S CA 0.056 58.036 58.200 -0.368 0.000 1.021 166 S CB 0.375 63.432 63.200 -0.238 0.000 0.887 166 S HN 0.180 nan 8.310 nan 0.000 0.542 167 F N 0.049 119.864 119.950 -0.224 0.000 2.565 167 F HA 0.413 4.941 4.527 0.001 0.000 0.313 167 F C -0.120 175.518 175.800 -0.271 0.000 1.091 167 F CA -0.609 57.339 58.000 -0.086 0.000 0.915 167 F CB 1.593 40.569 39.000 -0.040 0.000 1.208 167 F HN 0.586 nan 8.300 nan 0.000 0.453 168 Y N 0.126 120.597 120.300 0.285 0.000 2.432 168 Y HA 0.329 4.880 4.550 0.001 0.000 0.252 168 Y C 1.486 177.662 175.900 0.459 0.000 1.097 168 Y CA 0.302 58.535 58.100 0.221 0.000 1.250 168 Y CB 1.462 39.841 38.460 -0.135 0.000 1.245 168 Y HN 0.778 nan 8.280 nan 0.000 0.522 169 G N 0.073 109.209 108.800 0.561 0.000 2.184 169 G HA2 -0.200 3.761 3.960 0.001 0.000 0.206 169 G HA3 -0.200 3.761 3.960 0.001 0.000 0.206 169 G C 0.684 175.898 174.900 0.523 0.000 0.995 169 G CA -0.338 45.046 45.100 0.473 0.000 0.651 169 G HN 0.634 nan 8.290 nan 0.000 0.511 170 G N 0.717 109.936 108.800 0.698 0.000 2.265 170 G HA2 0.501 4.461 3.960 0.001 0.000 0.240 170 G HA3 0.501 4.461 3.960 0.001 0.000 0.240 170 G C 0.064 175.281 174.900 0.529 0.000 1.270 170 G CA 1.119 46.587 45.100 0.614 0.000 0.901 170 G HN 1.085 nan 8.290 nan 0.000 0.507 171 D N 0.437 121.053 120.400 0.360 0.000 2.664 171 D HA 0.264 4.905 4.640 0.001 0.000 0.292 171 D C 1.161 177.551 176.300 0.150 0.000 1.214 171 D CA -0.967 53.229 54.000 0.327 0.000 0.932 171 D CB 0.585 41.551 40.800 0.276 0.000 1.420 171 D HN 0.170 nan 8.370 nan 0.000 0.471 172 L N -0.858 120.426 121.223 0.101 0.000 2.093 172 L HA -0.067 4.274 4.340 0.001 0.000 0.208 172 L C 2.209 179.118 176.870 0.066 0.000 1.085 172 L CA 1.073 55.942 54.840 0.048 0.000 0.755 172 L CB -0.472 41.612 42.059 0.041 0.000 0.904 172 L HN 0.422 nan 8.230 nan 0.000 0.435 173 K N 0.971 121.410 120.400 0.065 0.000 2.103 173 K HA -0.134 4.186 4.320 0.001 0.000 0.207 173 K C 1.933 178.538 176.600 0.009 0.000 1.048 173 K CA 1.668 57.971 56.287 0.027 0.000 0.930 173 K CB -0.863 31.648 32.500 0.020 0.000 0.716 173 K HN 0.223 nan 8.250 nan 0.000 0.444 174 G N -0.007 108.811 108.800 0.030 0.000 2.418 174 G HA2 -0.198 3.762 3.960 0.001 0.000 0.217 174 G HA3 -0.198 3.762 3.960 0.001 0.000 0.217 174 G C 1.529 176.470 174.900 0.069 0.000 1.158 174 G CA 1.106 46.199 45.100 -0.011 0.000 0.771 174 G HN 0.197 nan 8.290 nan 0.000 0.545 175 V N 1.559 121.591 119.914 0.196 0.000 2.220 175 V HA -0.229 3.892 4.120 0.001 0.000 0.246 175 V C 2.784 178.958 176.094 0.133 0.000 1.049 175 V CA 1.903 64.369 62.300 0.277 0.000 1.003 175 V CB -0.685 31.288 31.823 0.249 0.000 0.634 175 V HN 0.410 nan 8.190 nan 0.000 0.444 176 I N 0.447 121.051 120.570 0.058 0.000 2.143 176 I HA -0.363 3.807 4.170 0.001 0.000 0.245 176 I C 2.307 178.410 176.117 -0.022 0.000 1.068 176 I CA 2.068 63.370 61.300 0.003 0.000 1.326 176 I CB -0.719 37.267 38.000 -0.022 0.000 1.028 176 I HN 0.361 nan 8.210 nan 0.000 0.412 177 D N 0.430 120.797 120.400 -0.055 0.000 2.182 177 D HA -0.136 4.505 4.640 0.001 0.000 0.201 177 D C 2.127 178.341 176.300 -0.143 0.000 0.986 177 D CA 0.989 54.918 54.000 -0.118 0.000 0.847 177 D CB -0.225 40.463 40.800 -0.187 0.000 0.942 177 D HN 0.251 nan 8.370 nan 0.000 0.467 178 R N 0.196 120.634 120.500 -0.103 0.000 2.310 178 R HA 0.162 4.503 4.340 0.001 0.000 0.202 178 R C 2.181 178.539 176.300 0.096 0.000 0.933 178 R CA -0.137 55.919 56.100 -0.074 0.000 1.054 178 R CB -0.309 29.984 30.300 -0.013 0.000 0.985 178 R HN 0.308 nan 8.270 nan 0.000 0.489 179 L N 0.868 122.123 121.223 0.054 0.000 2.129 179 L HA -0.172 4.169 4.340 0.001 0.000 0.212 179 L C -0.682 176.217 176.870 0.049 0.000 1.087 179 L CA 1.679 56.544 54.840 0.042 0.000 0.757 179 L CB -1.379 40.681 42.059 0.001 0.000 0.896 179 L HN 0.079 nan 8.230 nan 0.000 0.434 180 P HA -0.223 nan 4.420 nan 0.000 0.216 180 P C 1.378 178.751 177.300 0.122 0.000 1.153 180 P CA 1.280 64.414 63.100 0.057 0.000 0.848 180 P CB -0.056 31.665 31.700 0.036 0.000 0.787 181 Y N 0.173 120.500 120.300 0.044 0.000 2.114 181 Y HA -0.208 4.343 4.550 0.001 0.000 0.284 181 Y C 1.964 177.960 175.900 0.161 0.000 1.143 181 Y CA 1.436 59.621 58.100 0.142 0.000 1.135 181 Y CB -1.080 37.479 38.460 0.166 0.000 0.980 181 Y HN -0.239 nan 8.280 nan 0.000 0.499 182 L N 0.981 122.290 121.223 0.143 0.000 2.042 182 L HA -0.225 4.116 4.340 0.001 0.000 0.210 182 L C 2.523 179.334 176.870 -0.098 0.000 1.076 182 L CA 2.160 56.952 54.840 -0.080 0.000 0.749 182 L CB -1.460 40.548 42.059 -0.085 0.000 0.893 182 L HN 0.439 nan 8.230 nan 0.000 0.432 183 E N -0.628 119.550 120.200 -0.036 0.000 2.072 183 E HA -0.239 4.111 4.350 0.001 0.000 0.191 183 E C 2.096 178.672 176.600 -0.041 0.000 0.985 183 E CA 0.977 57.353 56.400 -0.038 0.000 0.801 183 E CB 0.059 29.746 29.700 -0.021 0.000 0.750 183 E HN 0.524 nan 8.360 nan 0.000 0.452 184 E N 0.315 120.505 120.200 -0.018 0.000 2.058 184 E HA -0.232 4.118 4.350 0.001 0.000 0.194 184 E C 2.236 178.771 176.600 -0.108 0.000 0.997 184 E CA 1.114 57.507 56.400 -0.010 0.000 0.801 184 E CB -0.105 29.653 29.700 0.098 0.000 0.746 184 E HN 0.237 nan 8.360 nan 0.000 0.450 185 L N -0.087 121.030 121.223 -0.177 0.000 2.079 185 L HA -0.056 4.284 4.340 0.001 0.000 0.210 185 L C 1.548 178.325 176.870 -0.155 0.000 1.081 185 L CA 2.452 57.111 54.840 -0.303 0.000 0.752 185 L CB -0.300 41.593 42.059 -0.277 0.000 0.896 185 L HN 0.388 nan 8.230 nan 0.000 0.433 186 G N -1.502 107.252 108.800 -0.076 0.000 2.148 186 G HA2 -0.175 3.785 3.960 0.001 0.000 0.203 186 G HA3 -0.175 3.785 3.960 0.001 0.000 0.203 186 G C 0.268 175.224 174.900 0.093 0.000 0.993 186 G CA 0.165 45.277 45.100 0.019 0.000 0.661 186 G HN 0.832 nan 8.290 nan 0.000 0.518 187 V N -0.675 119.253 119.914 0.024 0.000 2.811 187 V HA 0.736 4.857 4.120 0.001 0.000 0.302 187 V C 1.311 177.424 176.094 0.031 0.000 1.063 187 V CA 1.151 63.481 62.300 0.050 0.000 1.088 187 V CB 1.323 33.155 31.823 0.016 0.000 0.982 187 V HN 1.070 nan 8.190 nan 0.000 0.485 188 T N -0.620 113.969 114.554 0.058 0.000 3.044 188 T HA 0.713 5.063 4.350 0.001 0.000 0.260 188 T C 0.277 174.972 174.700 -0.008 0.000 1.019 188 T CA 0.379 62.492 62.100 0.021 0.000 0.921 188 T CB 0.049 68.959 68.868 0.069 0.000 1.053 188 T HN 1.881 nan 8.240 nan 0.000 0.533 189 A N 0.834 123.661 122.820 0.011 0.000 2.605 189 A HA 0.709 5.030 4.320 0.001 0.000 0.294 189 A C -1.918 175.665 177.584 -0.002 0.000 1.062 189 A CA -0.958 51.078 52.037 -0.002 0.000 0.682 189 A CB 0.981 20.039 19.000 0.097 0.000 1.278 189 A HN 0.361 nan 8.150 nan 0.000 0.410 190 L N 1.744 122.956 121.223 -0.018 0.000 2.381 190 L HA 0.481 4.821 4.340 0.001 0.000 0.274 190 L C -1.143 175.685 176.870 -0.069 0.000 0.988 190 L CA -0.753 54.009 54.840 -0.130 0.000 0.824 190 L CB 1.845 43.706 42.059 -0.331 0.000 1.263 190 L HN 0.802 nan 8.230 nan 0.000 0.410 191 Y N 3.846 124.034 120.300 -0.187 0.000 2.341 191 Y HA 0.560 5.110 4.550 0.001 0.000 0.340 191 Y C -1.305 174.488 175.900 -0.178 0.000 0.997 191 Y CA -1.270 56.825 58.100 -0.007 0.000 1.149 191 Y CB 0.745 39.299 38.460 0.157 0.000 1.171 191 Y HN 0.269 nan 8.280 nan 0.000 0.494 192 F N 3.751 123.557 119.950 -0.240 0.000 2.425 192 F HA 0.465 4.993 4.527 0.001 0.000 0.331 192 F C 0.958 176.364 175.800 -0.656 0.000 1.085 192 F CA -0.423 57.298 58.000 -0.465 0.000 1.028 192 F CB 1.649 40.468 39.000 -0.302 0.000 1.177 192 F HN 0.600 nan 8.300 nan 0.000 0.487 193 T N -0.135 114.136 114.554 -0.471 0.000 2.793 193 T HA 0.367 4.718 4.350 0.001 0.000 0.299 193 T C -2.653 171.763 174.700 -0.473 0.000 1.038 193 T CA -1.991 59.839 62.100 -0.450 0.000 0.948 193 T CB 0.221 68.814 68.868 -0.459 0.000 1.231 193 T HN 0.164 nan 8.240 nan 0.000 0.538 194 P HA 0.190 nan 4.420 nan 0.000 0.264 194 P C 0.166 177.158 177.300 -0.514 0.000 1.193 194 P CA 0.075 62.777 63.100 -0.663 0.000 0.763 194 P CB -0.032 31.212 31.700 -0.760 0.000 0.810 195 I N -0.967 119.225 120.570 -0.630 0.000 3.817 195 I HA 0.373 4.543 4.170 0.001 0.000 0.325 195 I C -0.500 175.589 176.117 -0.047 0.000 1.550 195 I CA -0.330 60.783 61.300 -0.311 0.000 1.100 195 I CB -0.118 37.573 38.000 -0.514 0.000 1.216 195 I HN 0.033 nan 8.210 nan 0.000 0.481 196 F N 2.125 121.986 119.950 -0.148 0.000 2.432 196 F HA 0.726 5.253 4.527 0.001 0.000 0.329 196 F C 1.308 177.069 175.800 -0.066 0.000 1.076 196 F CA -1.463 56.468 58.000 -0.116 0.000 1.018 196 F CB 1.389 40.311 39.000 -0.130 0.000 1.201 196 F HN 0.035 nan 8.300 nan 0.000 0.489 197 A N 2.389 125.317 122.820 0.179 0.000 2.583 197 A HA 0.260 4.581 4.320 0.001 0.000 0.249 197 A C 0.155 177.760 177.584 0.035 0.000 1.035 197 A CA 0.778 52.859 52.037 0.073 0.000 0.777 197 A CB -0.349 18.697 19.000 0.077 0.000 0.942 197 A HN 0.648 nan 8.150 nan 0.000 0.516 198 S N 3.122 118.818 115.700 -0.007 0.000 2.558 198 S HA 0.633 5.103 4.470 0.001 0.000 0.277 198 S C -2.318 172.270 174.600 -0.020 0.000 1.143 198 S CA -0.282 57.913 58.200 -0.008 0.000 0.865 198 S CB 1.564 64.747 63.200 -0.028 0.000 1.102 198 S HN 0.409 nan 8.310 nan 0.000 0.454 199 P HA 0.033 nan 4.420 nan 0.000 0.220 199 P C 0.825 178.185 177.300 0.100 0.000 1.152 199 P CA 0.623 63.748 63.100 0.041 0.000 0.812 199 P CB -0.257 31.478 31.700 0.059 0.000 0.792 200 S N 0.597 116.293 115.700 -0.006 0.000 2.633 200 S HA 0.006 4.477 4.470 0.001 0.000 0.257 200 S C 1.532 176.111 174.600 -0.035 0.000 1.265 200 S CA -0.213 57.923 58.200 -0.105 0.000 0.980 200 S CB -0.544 62.292 63.200 -0.606 0.000 1.017 200 S HN 0.349 nan 8.310 nan 0.000 0.577 201 H N 0.038 118.954 119.070 -0.257 0.000 2.563 201 H HA 0.099 4.656 4.556 0.001 0.000 0.264 201 H C 1.351 176.694 175.328 0.025 0.000 0.957 201 H CA 1.277 57.265 56.048 -0.100 0.000 1.173 201 H CB -0.509 29.052 29.762 -0.335 0.000 1.420 201 H HN 0.982 nan 8.280 nan 0.000 0.551 202 H N 0.466 119.303 119.070 -0.388 0.000 2.516 202 H HA 0.284 4.841 4.556 0.001 0.000 0.284 202 H C 0.633 175.845 175.328 -0.194 0.000 0.999 202 H CA 0.026 55.934 56.048 -0.234 0.000 1.303 202 H CB 0.200 29.970 29.762 0.013 0.000 1.452 202 H HN 0.065 nan 8.280 nan 0.000 0.530 203 K N -0.406 119.866 120.400 -0.214 0.000 3.129 203 K HA -0.256 4.065 4.320 0.001 0.000 0.273 203 K C -0.664 175.914 176.600 -0.037 0.000 1.123 203 K CA 0.814 57.036 56.287 -0.108 0.000 0.800 203 K CB -2.255 30.169 32.500 -0.126 0.000 1.238 203 K HN 0.432 nan 8.250 nan 0.000 0.492 204 Y N 1.139 121.605 120.300 0.277 0.000 2.490 204 Y HA -0.018 4.533 4.550 0.001 0.000 0.281 204 Y C 1.018 176.976 175.900 0.096 0.000 1.174 204 Y CA 0.474 58.640 58.100 0.110 0.000 1.295 204 Y CB 0.395 38.877 38.460 0.037 0.000 1.062 204 Y HN 0.189 nan 8.280 nan 0.000 0.522 205 D N -0.577 119.971 120.400 0.247 0.000 2.772 205 D HA 0.067 4.708 4.640 0.001 0.000 0.273 205 D C -0.255 176.078 176.300 0.054 0.000 1.233 205 D CA -0.296 53.809 54.000 0.176 0.000 0.984 205 D CB -0.306 40.618 40.800 0.206 0.000 1.000 205 D HN -0.109 nan 8.370 nan 0.000 0.514 206 T N 0.752 115.274 114.554 -0.053 0.000 2.819 206 T HA 0.188 4.539 4.350 0.001 0.000 0.282 206 T C 1.299 175.948 174.700 -0.085 0.000 1.013 206 T CA 0.449 62.418 62.100 -0.219 0.000 1.159 206 T CB 1.102 69.509 68.868 -0.768 0.000 1.007 206 T HN 0.508 nan 8.240 nan 0.000 0.514 207 A N 2.848 125.675 122.820 0.011 0.000 2.035 207 A HA 0.283 4.604 4.320 0.001 0.000 0.208 207 A C 0.856 178.596 177.584 0.260 0.000 1.206 207 A CA 0.093 52.223 52.037 0.155 0.000 0.773 207 A CB 0.465 19.531 19.000 0.109 0.000 0.878 207 A HN 0.718 nan 8.150 nan 0.000 0.469 208 D N -1.706 118.795 120.400 0.170 0.000 2.354 208 D HA 0.244 4.884 4.640 0.001 0.000 0.230 208 D C -0.687 175.726 176.300 0.187 0.000 1.361 208 D CA -0.520 53.637 54.000 0.261 0.000 0.992 208 D CB -0.044 40.860 40.800 0.172 0.000 1.409 208 D HN 0.157 nan 8.370 nan 0.000 0.573 209 Y N 2.036 122.560 120.300 0.373 0.000 2.716 209 Y HA 0.075 4.625 4.550 0.001 0.000 0.302 209 Y C 1.664 177.551 175.900 -0.020 0.000 1.160 209 Y CA 0.736 58.963 58.100 0.212 0.000 1.362 209 Y CB 0.197 38.921 38.460 0.441 0.000 0.988 209 Y HN 0.406 nan 8.280 nan 0.000 0.546 210 L N -0.847 120.446 121.223 0.117 0.000 2.959 210 L HA 0.477 4.817 4.340 0.001 0.000 0.259 210 L C 0.322 177.171 176.870 -0.035 0.000 1.185 210 L CA -0.296 54.475 54.840 -0.115 0.000 0.998 210 L CB 0.295 42.140 42.059 -0.356 0.000 1.337 210 L HN -0.000 nan 8.230 nan 0.000 0.555 211 A N 0.442 123.328 122.820 0.110 0.000 2.408 211 A HA 0.632 4.953 4.320 0.001 0.000 0.295 211 A C -0.644 177.077 177.584 0.229 0.000 1.040 211 A CA -0.509 51.635 52.037 0.179 0.000 0.707 211 A CB 0.992 20.046 19.000 0.090 0.000 1.235 211 A HN 0.024 nan 8.150 nan 0.000 0.418 212 I N 2.104 122.856 120.570 0.305 0.000 2.815 212 I HA -0.042 4.129 4.170 0.001 0.000 0.291 212 I C 0.944 177.176 176.117 0.192 0.000 1.209 212 I CA 0.572 62.015 61.300 0.238 0.000 1.431 212 I CB 0.398 38.515 38.000 0.196 0.000 1.351 212 I HN 0.639 nan 8.210 nan 0.000 0.585 213 D N 7.817 128.332 120.400 0.192 0.000 2.455 213 D HA 0.007 4.648 4.640 0.001 0.000 0.241 213 D C -1.688 174.623 176.300 0.018 0.000 1.138 213 D CA -1.184 52.847 54.000 0.052 0.000 0.877 213 D CB 1.438 42.179 40.800 -0.098 0.000 1.187 213 D HN 0.234 nan 8.370 nan 0.000 0.451 214 P HA -0.201 nan 4.420 nan 0.000 0.217 214 P C 1.161 178.432 177.300 -0.047 0.000 1.151 214 P CA 1.638 64.725 63.100 -0.021 0.000 0.849 214 P CB 0.007 31.682 31.700 -0.042 0.000 0.787 215 Q N -2.507 117.195 119.800 -0.165 0.000 2.472 215 Q HA -0.042 4.299 4.340 0.001 0.000 0.208 215 Q C 0.948 176.933 176.000 -0.026 0.000 0.958 215 Q CA 0.970 56.668 55.803 -0.174 0.000 0.932 215 Q CB -0.492 28.044 28.738 -0.337 0.000 1.007 215 Q HN 0.191 nan 8.270 nan 0.000 0.508 216 F N 0.363 120.326 119.950 0.021 0.000 2.678 216 F HA 0.458 4.986 4.527 0.001 0.000 0.291 216 F C 1.363 177.187 175.800 0.041 0.000 1.123 216 F CA 0.367 58.385 58.000 0.029 0.000 1.395 216 F CB 0.963 39.960 39.000 -0.005 0.000 1.121 216 F HN 0.281 nan 8.300 nan 0.000 0.592 217 G N 0.034 108.965 108.800 0.218 0.000 2.247 217 G HA2 0.250 4.210 3.960 0.001 0.000 0.229 217 G HA3 0.250 4.210 3.960 0.001 0.000 0.229 217 G C -1.969 173.020 174.900 0.148 0.000 1.345 217 G CA -0.297 44.899 45.100 0.160 0.000 1.100 217 G HN 0.209 nan 8.290 nan 0.000 0.473 218 D N -1.434 119.062 120.400 0.159 0.000 2.626 218 D HA 0.579 5.219 4.640 0.001 0.000 0.278 218 D C 1.334 177.767 176.300 0.222 0.000 1.211 218 D CA -0.646 53.452 54.000 0.164 0.000 0.903 218 D CB 0.724 41.594 40.800 0.116 0.000 1.408 218 D HN 0.532 nan 8.370 nan 0.000 0.454 219 L N -0.366 120.994 121.223 0.227 0.000 2.013 219 L HA -0.083 4.258 4.340 0.001 0.000 0.212 219 L C -0.843 176.165 176.870 0.231 0.000 1.073 219 L CA 2.012 57.017 54.840 0.274 0.000 0.753 219 L CB -1.029 41.154 42.059 0.207 0.000 0.890 219 L HN 0.389 nan 8.230 nan 0.000 0.432 220 P HA -0.140 nan 4.420 nan 0.000 0.214 220 P C 1.560 178.914 177.300 0.090 0.000 1.163 220 P CA 1.769 64.925 63.100 0.093 0.000 0.883 220 P CB -0.090 31.649 31.700 0.065 0.000 0.788 221 T N -0.707 113.911 114.554 0.108 0.000 2.684 221 T HA -0.209 4.142 4.350 0.001 0.000 0.267 221 T C 1.505 176.260 174.700 0.093 0.000 1.036 221 T CA 1.301 63.453 62.100 0.086 0.000 1.148 221 T CB -1.169 67.760 68.868 0.102 0.000 0.863 221 T HN 0.009 nan 8.240 nan 0.000 0.436 222 F N 2.513 122.479 119.950 0.027 0.000 2.069 222 F HA -0.113 4.414 4.527 0.001 0.000 0.298 222 F C 2.514 178.305 175.800 -0.016 0.000 1.113 222 F CA 1.275 59.277 58.000 0.004 0.000 1.214 222 F CB -0.209 38.855 39.000 0.106 0.000 0.978 222 F HN -0.123 nan 8.300 nan 0.000 0.474 223 R N 0.125 120.639 120.500 0.024 0.000 2.103 223 R HA -0.228 4.112 4.340 0.001 0.000 0.242 223 R C 2.328 178.520 176.300 -0.180 0.000 1.142 223 R CA 1.703 57.743 56.100 -0.100 0.000 0.960 223 R CB -0.802 29.502 30.300 0.006 0.000 0.858 223 R HN 0.229 nan 8.270 nan 0.000 0.439 224 R N 1.251 121.684 120.500 -0.112 0.000 2.081 224 R HA -0.133 4.207 4.340 0.001 0.000 0.235 224 R C 2.237 178.435 176.300 -0.169 0.000 1.131 224 R CA 1.268 57.303 56.100 -0.107 0.000 0.960 224 R CB -0.809 29.459 30.300 -0.054 0.000 0.856 224 R HN 0.197 nan 8.270 nan 0.000 0.436 225 L N -0.159 120.929 121.223 -0.225 0.000 2.017 225 L HA -0.084 4.256 4.340 0.001 0.000 0.208 225 L C 1.985 178.636 176.870 -0.366 0.000 1.073 225 L CA 1.667 56.355 54.840 -0.254 0.000 0.745 225 L CB -0.724 41.175 42.059 -0.268 0.000 0.894 225 L HN 0.075 nan 8.230 nan 0.000 0.432 226 V N 0.412 119.986 119.914 -0.566 0.000 2.282 226 V HA -0.346 3.775 4.120 0.001 0.000 0.249 226 V C 2.376 178.092 176.094 -0.630 0.000 1.057 226 V CA 2.157 64.052 62.300 -0.675 0.000 1.032 226 V CB -0.920 30.505 31.823 -0.663 0.000 0.645 226 V HN 0.500 nan 8.190 nan 0.000 0.447 227 D N -0.607 119.585 120.400 -0.347 0.000 2.084 227 D HA -0.118 4.522 4.640 0.001 0.000 0.196 227 D C 2.315 178.537 176.300 -0.130 0.000 0.985 227 D CA 0.950 54.844 54.000 -0.177 0.000 0.826 227 D CB -0.297 40.443 40.800 -0.099 0.000 0.978 227 D HN 0.352 nan 8.370 nan 0.000 0.456 228 E N 0.700 120.819 120.200 -0.135 0.000 2.118 228 E HA -0.130 4.220 4.350 0.001 0.000 0.195 228 E C 1.975 178.523 176.600 -0.086 0.000 0.992 228 E CA 0.828 57.174 56.400 -0.091 0.000 0.804 228 E CB -0.227 29.424 29.700 -0.082 0.000 0.741 228 E HN 0.228 nan 8.360 nan 0.000 0.458 229 A N 0.371 123.107 122.820 -0.139 0.000 1.872 229 A HA -0.164 4.156 4.320 0.001 0.000 0.214 229 A C 1.927 179.483 177.584 -0.047 0.000 1.187 229 A CA 1.499 53.469 52.037 -0.113 0.000 0.614 229 A CB -0.873 18.029 19.000 -0.163 0.000 0.826 229 A HN 0.347 nan 8.150 nan 0.000 0.442 230 H N 0.078 119.081 119.070 -0.111 0.000 2.289 230 H HA -0.175 4.381 4.556 0.001 0.000 0.296 230 H C 2.177 177.446 175.328 -0.098 0.000 1.091 230 H CA 1.478 57.455 56.048 -0.118 0.000 1.274 230 H CB -0.097 29.594 29.762 -0.119 0.000 1.364 230 H HN 0.589 nan 8.280 nan 0.000 0.490 231 R N 1.186 121.718 120.500 0.054 0.000 2.397 231 R HA -0.054 4.286 4.340 0.001 0.000 0.213 231 R C 1.130 177.420 176.300 -0.018 0.000 1.102 231 R CA 1.024 57.125 56.100 0.001 0.000 1.040 231 R CB -0.081 30.213 30.300 -0.010 0.000 0.844 231 R HN 0.302 nan 8.270 nan 0.000 0.478 232 R N 0.112 120.600 120.500 -0.019 0.000 2.543 232 R HA 0.142 4.482 4.340 0.001 0.000 0.323 232 R C 0.280 176.553 176.300 -0.045 0.000 1.002 232 R CA 0.343 56.424 56.100 -0.033 0.000 1.106 232 R CB 1.272 31.553 30.300 -0.033 0.000 1.280 232 R HN 0.470 nan 8.270 nan 0.000 0.549 233 G N 1.922 110.694 108.800 -0.046 0.000 2.176 233 G HA2 -0.268 3.692 3.960 0.001 0.000 0.252 233 G HA3 -0.268 3.692 3.960 0.001 0.000 0.252 233 G C 0.028 174.883 174.900 -0.075 0.000 1.024 233 G CA 0.089 45.145 45.100 -0.073 0.000 0.755 233 G HN 0.272 nan 8.290 nan 0.000 0.507 234 I N 0.537 121.080 120.570 -0.046 0.000 2.382 234 I HA 0.335 4.506 4.170 0.001 0.000 0.286 234 I C 0.622 176.721 176.117 -0.031 0.000 1.002 234 I CA -0.833 60.435 61.300 -0.055 0.000 1.135 234 I CB 1.343 39.311 38.000 -0.054 0.000 1.288 234 I HN -0.051 nan 8.210 nan 0.000 0.448 235 K N 5.772 126.104 120.400 -0.113 0.000 2.098 235 K HA 0.579 4.900 4.320 0.001 0.000 0.244 235 K C -0.671 175.903 176.600 -0.043 0.000 1.014 235 K CA -0.808 55.403 56.287 -0.127 0.000 0.917 235 K CB 1.526 33.710 32.500 -0.527 0.000 1.072 235 K HN 0.343 nan 8.250 nan 0.000 0.477 236 I N 2.632 123.206 120.570 0.006 0.000 2.410 236 I HA 0.296 4.466 4.170 0.001 0.000 0.286 236 I C -0.567 175.641 176.117 0.151 0.000 1.009 236 I CA -0.777 60.587 61.300 0.106 0.000 1.111 236 I CB 1.002 39.013 38.000 0.018 0.000 1.262 236 I HN 0.430 nan 8.210 nan 0.000 0.443 237 I N 6.902 127.632 120.570 0.267 0.000 2.433 237 I HA 0.438 4.609 4.170 0.001 0.000 0.292 237 I C -0.025 176.278 176.117 0.310 0.000 1.001 237 I CA -0.198 61.266 61.300 0.274 0.000 1.119 237 I CB 1.688 39.958 38.000 0.450 0.000 1.289 237 I HN 0.253 nan 8.210 nan 0.000 0.438 238 L N 4.024 125.301 121.223 0.090 0.000 2.334 238 L HA 0.497 4.837 4.340 0.001 0.000 0.270 238 L C -0.196 176.792 176.870 0.197 0.000 1.018 238 L CA -0.905 53.968 54.840 0.054 0.000 0.811 238 L CB 1.277 43.203 42.059 -0.221 0.000 1.271 238 L HN 0.471 nan 8.230 nan 0.000 0.443 239 D N 1.804 122.258 120.400 0.091 0.000 2.339 239 D HA 0.331 4.972 4.640 0.001 0.000 0.241 239 D C -0.440 175.853 176.300 -0.012 0.000 1.183 239 D CA -0.057 54.009 54.000 0.109 0.000 0.859 239 D CB 1.603 42.424 40.800 0.036 0.000 1.067 239 D HN 0.547 nan 8.370 nan 0.000 0.484 240 A N 3.680 126.501 122.820 0.002 0.000 2.309 240 A HA 0.377 4.698 4.320 0.001 0.000 0.290 240 A C -0.042 177.323 177.584 -0.366 0.000 1.206 240 A CA -0.539 51.274 52.037 -0.374 0.000 0.850 240 A CB 0.685 19.101 19.000 -0.975 0.000 1.118 240 A HN 0.382 nan 8.150 nan 0.000 0.523 241 V N 4.508 124.313 119.914 -0.181 0.000 2.220 241 V HA 0.184 4.304 4.120 0.001 0.000 0.265 241 V C -0.209 175.958 176.094 0.122 0.000 1.078 241 V CA -0.016 62.256 62.300 -0.047 0.000 0.872 241 V CB -0.591 31.227 31.823 -0.009 0.000 1.121 241 V HN 0.859 nan 8.190 nan 0.000 0.460 242 F N 1.400 121.324 119.950 -0.044 0.000 2.746 242 F HA 0.162 4.689 4.527 0.001 0.000 0.297 242 F C 1.969 177.630 175.800 -0.232 0.000 1.113 242 F CA -0.119 57.774 58.000 -0.177 0.000 1.367 242 F CB -0.593 38.248 39.000 -0.266 0.000 1.111 242 F HN 0.463 nan 8.300 nan 0.000 0.590 243 N N 0.170 118.898 118.700 0.048 0.000 2.250 243 N HA -0.105 4.636 4.740 0.001 0.000 0.181 243 N C 0.043 175.651 175.510 0.163 0.000 1.017 243 N CA 0.986 54.088 53.050 0.086 0.000 0.866 243 N CB -0.013 38.624 38.487 0.251 0.000 0.985 243 N HN 0.453 nan 8.380 nan 0.000 0.429 244 H N -3.274 115.863 119.070 0.111 0.000 2.985 244 H HA 0.800 5.357 4.556 0.001 0.000 0.360 244 H C -1.262 174.162 175.328 0.159 0.000 1.221 244 H CA -1.024 55.101 56.048 0.128 0.000 1.121 244 H CB 1.320 31.169 29.762 0.144 0.000 1.854 244 H HN 0.034 nan 8.280 nan 0.000 0.551 245 A N 0.881 123.819 122.820 0.196 0.000 2.309 245 A HA 0.796 5.116 4.320 0.001 0.000 0.317 245 A C 0.371 178.018 177.584 0.105 0.000 1.134 245 A CA -0.509 51.585 52.037 0.095 0.000 0.866 245 A CB 0.850 19.824 19.000 -0.044 0.000 1.329 245 A HN 1.039 nan 8.150 nan 0.000 0.477 246 G N -0.800 108.040 108.800 0.066 0.000 2.476 246 G HA2 0.418 4.379 3.960 0.001 0.000 0.286 246 G HA3 0.418 4.379 3.960 0.001 0.000 0.286 246 G C 0.041 174.964 174.900 0.039 0.000 1.177 246 G CA 0.293 45.439 45.100 0.076 0.000 0.870 246 G HN 0.772 nan 8.290 nan 0.000 0.528 247 D N -0.531 119.866 120.400 -0.004 0.000 2.392 247 D HA -0.085 4.555 4.640 0.001 0.000 0.228 247 D C 1.426 177.865 176.300 0.232 0.000 1.003 247 D CA 0.634 54.653 54.000 0.032 0.000 0.917 247 D CB 0.331 41.202 40.800 0.118 0.000 0.890 247 D HN 0.282 nan 8.370 nan 0.000 0.532 248 Q N -0.751 119.167 119.800 0.197 0.000 2.352 248 Q HA 0.119 4.459 4.340 0.001 0.000 0.212 248 Q C 0.008 176.163 176.000 0.259 0.000 0.888 248 Q CA -0.404 55.513 55.803 0.190 0.000 0.934 248 Q CB 0.008 28.830 28.738 0.140 0.000 1.093 248 Q HN 0.355 nan 8.270 nan 0.000 0.523 249 F N 2.508 122.545 119.950 0.144 0.000 2.623 249 F HA -0.152 4.375 4.527 0.001 0.000 0.383 249 F C 1.305 177.195 175.800 0.149 0.000 1.077 249 F CA -0.738 57.384 58.000 0.204 0.000 1.268 249 F CB 0.250 39.402 39.000 0.253 0.000 1.053 249 F HN 0.084 nan 8.300 nan 0.000 0.571 250 F N 4.636 124.340 119.950 -0.410 0.000 2.063 250 F HA -0.205 4.323 4.527 0.001 0.000 0.298 250 F C 1.883 177.334 175.800 -0.583 0.000 1.109 250 F CA 1.651 59.379 58.000 -0.453 0.000 1.212 250 F CB -1.389 37.333 39.000 -0.463 0.000 0.973 250 F HN 0.431 nan 8.300 nan 0.000 0.480 251 A N 0.286 121.649 122.820 -2.428 0.000 1.908 251 A HA -0.175 4.146 4.320 0.001 0.000 0.218 251 A C 2.160 179.471 177.584 -0.455 0.000 1.181 251 A CA 1.762 52.721 52.037 -1.797 0.000 0.627 251 A CB -1.590 16.435 19.000 -1.624 0.000 0.818 251 A HN 0.571 nan 8.150 nan 0.000 0.445 252 F N 0.255 120.077 119.950 -0.214 0.000 2.084 252 F HA -0.096 4.431 4.527 0.001 0.000 0.296 252 F C 2.408 178.025 175.800 -0.304 0.000 1.111 252 F CA 1.756 59.557 58.000 -0.332 0.000 1.224 252 F CB -0.403 38.421 39.000 -0.294 0.000 0.991 252 F HN 0.112 nan 8.300 nan 0.000 0.471 253 R N 0.013 120.430 120.500 -0.139 0.000 2.103 253 R HA -0.246 4.094 4.340 0.001 0.000 0.242 253 R C 1.980 178.149 176.300 -0.217 0.000 1.142 253 R CA 1.970 57.969 56.100 -0.168 0.000 0.960 253 R CB -0.769 29.497 30.300 -0.057 0.000 0.858 253 R HN 0.363 nan 8.270 nan 0.000 0.439 254 D N -0.469 119.785 120.400 -0.243 0.000 2.182 254 D HA -0.128 4.513 4.640 0.001 0.000 0.201 254 D C 1.570 177.784 176.300 -0.142 0.000 0.986 254 D CA 0.991 54.892 54.000 -0.167 0.000 0.847 254 D CB 0.251 40.945 40.800 -0.176 0.000 0.942 254 D HN -0.007 nan 8.370 nan 0.000 0.467 255 V N 0.292 120.072 119.914 -0.224 0.000 2.323 255 V HA -0.161 3.960 4.120 0.001 0.000 0.244 255 V C 2.613 178.553 176.094 -0.256 0.000 1.041 255 V CA 1.052 63.233 62.300 -0.198 0.000 1.025 255 V CB -0.538 31.103 31.823 -0.303 0.000 0.656 255 V HN 0.325 nan 8.190 nan 0.000 0.451 256 L N -0.187 120.773 121.223 -0.439 0.000 2.129 256 L HA -0.284 4.057 4.340 0.001 0.000 0.212 256 L C 2.567 179.339 176.870 -0.164 0.000 1.087 256 L CA 1.780 56.413 54.840 -0.346 0.000 0.757 256 L CB -0.355 41.490 42.059 -0.357 0.000 0.896 256 L HN 0.427 nan 8.230 nan 0.000 0.434 257 Q N 0.591 120.310 119.800 -0.134 0.000 1.967 257 Q HA -0.109 4.232 4.340 0.001 0.000 0.196 257 Q C 1.844 177.814 176.000 -0.051 0.000 0.978 257 Q CA 1.528 57.286 55.803 -0.075 0.000 0.833 257 Q CB 0.040 28.740 28.738 -0.064 0.000 0.898 257 Q HN 0.231 nan 8.270 nan 0.000 0.446 258 K N 0.207 120.578 120.400 -0.048 0.000 2.525 258 K HA 0.195 4.516 4.320 0.001 0.000 0.192 258 K C 0.936 177.514 176.600 -0.036 0.000 1.029 258 K CA 0.335 56.599 56.287 -0.038 0.000 1.029 258 K CB -0.150 32.329 32.500 -0.035 0.000 0.814 258 K HN 0.437 nan 8.250 nan 0.000 0.503 259 G N 3.152 111.954 108.800 0.004 0.000 2.596 259 G HA2 -0.398 3.562 3.960 0.001 0.000 0.295 259 G HA3 -0.398 3.562 3.960 0.001 0.000 0.295 259 G C 0.306 175.174 174.900 -0.053 0.000 1.240 259 G CA 0.550 45.707 45.100 0.094 0.000 0.985 259 G HN 0.574 nan 8.290 nan 0.000 0.555 260 E N 0.761 120.631 120.200 -0.551 0.000 2.365 260 E HA 0.165 4.515 4.350 0.001 0.000 0.188 260 E C 1.287 177.674 176.600 -0.355 0.000 1.102 260 E CA 0.478 56.383 56.400 -0.824 0.000 0.927 260 E CB 0.158 29.000 29.700 -1.431 0.000 1.073 260 E HN 0.463 nan 8.360 nan 0.000 0.467 261 Q N 0.293 119.971 119.800 -0.204 0.000 2.319 261 Q HA 0.160 4.500 4.340 0.001 0.000 0.209 261 Q C 0.328 176.268 176.000 -0.100 0.000 0.884 261 Q CA 0.052 55.774 55.803 -0.135 0.000 0.938 261 Q CB 0.895 29.572 28.738 -0.102 0.000 1.098 261 Q HN 0.086 nan 8.270 nan 0.000 0.517 262 S N 1.585 117.240 115.700 -0.076 0.000 2.537 262 S HA 0.032 4.503 4.470 0.001 0.000 0.286 262 S C 1.223 175.757 174.600 -0.110 0.000 1.299 262 S CA -0.103 58.076 58.200 -0.035 0.000 1.067 262 S CB 0.677 63.901 63.200 0.041 0.000 0.864 262 S HN 0.131 nan 8.310 nan 0.000 0.494 263 R N 2.592 122.951 120.500 -0.235 0.000 2.280 263 R HA -0.019 4.321 4.340 0.001 0.000 0.207 263 R C -0.206 175.655 176.300 -0.731 0.000 1.043 263 R CA 1.210 57.008 56.100 -0.503 0.000 1.006 263 R CB -0.245 29.616 30.300 -0.732 0.000 0.885 263 R HN 0.747 nan 8.270 nan 0.000 0.467 264 Y N -0.088 120.013 120.300 -0.332 0.000 2.720 264 Y HA 0.204 4.755 4.550 0.001 0.000 0.268 264 Y C 1.377 177.263 175.900 -0.023 0.000 1.142 264 Y CA -0.512 57.274 58.100 -0.522 0.000 1.193 264 Y CB 0.259 38.209 38.460 -0.850 0.000 1.176 264 Y HN -0.023 nan 8.280 nan 0.000 0.542 265 K N -1.000 119.512 120.400 0.187 0.000 2.217 265 K HA -0.055 4.266 4.320 0.001 0.000 0.202 265 K C -0.001 176.818 176.600 0.364 0.000 1.051 265 K CA 1.491 57.981 56.287 0.338 0.000 0.952 265 K CB 0.052 32.742 32.500 0.317 0.000 0.736 265 K HN 0.083 nan 8.250 nan 0.000 0.453 266 D N -0.110 120.457 120.400 0.278 0.000 2.325 266 D HA -0.006 4.635 4.640 0.001 0.000 0.234 266 D C 0.238 176.684 176.300 0.244 0.000 1.122 266 D CA 0.172 54.294 54.000 0.204 0.000 0.850 266 D CB -0.066 40.809 40.800 0.125 0.000 0.921 266 D HN 0.327 nan 8.370 nan 0.000 0.513 267 W N -0.192 121.076 121.300 -0.054 0.000 3.197 267 W HA 0.228 4.888 4.660 0.001 0.000 0.274 267 W C 0.254 176.403 176.519 -0.616 0.000 1.297 267 W CA -0.232 56.907 57.345 -0.344 0.000 1.662 267 W CB -0.018 29.183 29.460 -0.431 0.000 1.106 267 W HN -0.184 nan 8.180 nan 0.000 0.663 268 F N -2.126 118.021 119.950 0.328 0.000 2.814 268 F HA 0.464 4.992 4.527 0.001 0.000 0.353 268 F C -0.628 175.280 175.800 0.179 0.000 1.177 268 F CA -1.537 56.673 58.000 0.351 0.000 1.036 268 F CB 0.466 39.709 39.000 0.403 0.000 1.455 268 F HN -0.541 nan 8.300 nan 0.000 0.520 269 F N 2.844 123.039 119.950 0.409 0.000 2.366 269 F HA 0.404 4.931 4.527 0.001 0.000 0.357 269 F C -0.584 175.359 175.800 0.238 0.000 1.107 269 F CA -0.521 57.632 58.000 0.255 0.000 1.208 269 F CB 0.399 39.516 39.000 0.194 0.000 1.464 269 F HN -0.078 nan 8.300 nan 0.000 0.501 270 I N 2.853 123.577 120.570 0.257 0.000 2.331 270 I HA 0.116 4.287 4.170 0.001 0.000 0.292 270 I C 1.248 177.384 176.117 0.032 0.000 0.998 270 I CA -0.118 61.225 61.300 0.073 0.000 1.267 270 I CB 1.437 39.311 38.000 -0.209 0.000 1.386 270 I HN 0.627 nan 8.210 nan 0.000 0.476 271 E N 4.200 124.409 120.200 0.015 0.000 2.216 271 E HA 0.002 4.353 4.350 0.001 0.000 0.192 271 E C -0.644 175.962 176.600 0.009 0.000 0.973 271 E CA 0.233 56.655 56.400 0.038 0.000 0.851 271 E CB 0.393 30.124 29.700 0.051 0.000 0.804 271 E HN 0.775 nan 8.360 nan 0.000 0.477 272 D N -0.850 119.490 120.400 -0.099 0.000 2.622 272 D HA 0.376 5.016 4.640 0.001 0.000 0.255 272 D C -1.324 174.834 176.300 -0.235 0.000 1.246 272 D CA -0.723 53.258 54.000 -0.032 0.000 0.795 272 D CB 0.379 41.205 40.800 0.042 0.000 1.369 272 D HN -0.020 nan 8.370 nan 0.000 0.425 273 F N -0.009 119.961 119.950 0.033 0.000 2.522 273 F HA 0.619 5.147 4.527 0.001 0.000 0.324 273 F C -1.534 174.272 175.800 0.010 0.000 1.077 273 F CA -1.473 56.536 58.000 0.015 0.000 0.944 273 F CB 1.376 40.376 39.000 -0.001 0.000 1.175 273 F HN 0.230 nan 8.300 nan 0.000 0.468 274 P HA 0.231 nan 4.420 nan 0.000 0.274 274 P C -0.938 176.358 177.300 -0.007 0.000 1.256 274 P CA -0.341 62.837 63.100 0.130 0.000 0.795 274 P CB 1.036 32.783 31.700 0.077 0.000 1.038 275 V N 0.822 120.692 119.914 -0.074 0.000 2.508 275 V HA 0.059 4.179 4.120 0.001 0.000 0.281 275 V C 1.234 177.338 176.094 0.017 0.000 1.041 275 V CA -0.174 62.061 62.300 -0.108 0.000 1.016 275 V CB 0.522 32.145 31.823 -0.334 0.000 0.984 275 V HN 0.783 nan 8.190 nan 0.000 0.478 276 S N 4.371 120.154 115.700 0.138 0.000 2.560 276 S HA 0.146 4.617 4.470 0.001 0.000 0.284 276 S C 0.599 175.318 174.600 0.197 0.000 1.327 276 S CA -0.034 58.254 58.200 0.146 0.000 1.055 276 S CB 0.185 63.454 63.200 0.116 0.000 0.868 276 S HN 0.784 nan 8.310 nan 0.000 0.506 277 K N 2.713 123.184 120.400 0.118 0.000 2.646 277 K HA 0.176 4.497 4.320 0.001 0.000 0.206 277 K C 0.249 176.902 176.600 0.089 0.000 1.069 277 K CA -0.269 56.087 56.287 0.115 0.000 1.067 277 K CB 0.904 33.446 32.500 0.070 0.000 0.807 277 K HN 0.589 nan 8.250 nan 0.000 0.482 278 T N -1.499 113.101 114.554 0.078 0.000 2.768 278 T HA 0.189 4.539 4.350 0.001 0.000 0.268 278 T C 0.927 175.646 174.700 0.032 0.000 0.969 278 T CA -0.448 61.680 62.100 0.047 0.000 1.008 278 T CB 1.353 70.238 68.868 0.029 0.000 1.371 278 T HN -0.049 nan 8.240 nan 0.000 0.587 279 S N 0.181 115.889 115.700 0.013 0.000 2.527 279 S HA 0.137 4.608 4.470 0.001 0.000 0.222 279 S C 0.778 175.360 174.600 -0.029 0.000 0.985 279 S CA 0.141 58.339 58.200 -0.004 0.000 0.921 279 S CB -0.129 63.069 63.200 -0.003 0.000 0.772 279 S HN 0.464 nan 8.310 nan 0.000 0.529 280 R N 3.462 123.945 120.500 -0.028 0.000 2.287 280 R HA 0.248 4.588 4.340 0.001 0.000 0.316 280 R C -0.322 175.931 176.300 -0.077 0.000 1.050 280 R CA -0.288 55.782 56.100 -0.051 0.000 0.983 280 R CB -0.229 30.052 30.300 -0.030 0.000 1.140 280 R HN 0.132 nan 8.270 nan 0.000 0.528 281 T N 0.910 115.364 114.554 -0.167 0.000 2.910 281 T HA 0.216 4.566 4.350 0.001 0.000 0.293 281 T C 0.515 175.054 174.700 -0.269 0.000 1.015 281 T CA -0.758 61.139 62.100 -0.338 0.000 1.094 281 T CB 0.828 69.259 68.868 -0.729 0.000 0.968 281 T HN 0.641 nan 8.240 nan 0.000 0.521 282 N N 1.023 119.614 118.700 -0.180 0.000 2.480 282 N HA 0.150 4.891 4.740 0.001 0.000 0.281 282 N C -0.990 174.566 175.510 0.075 0.000 1.381 282 N CA -0.750 52.276 53.050 -0.041 0.000 0.903 282 N CB -0.253 38.237 38.487 0.005 0.000 1.274 282 N HN 0.896 nan 8.380 nan 0.000 0.505 283 Y N -2.654 117.671 120.300 0.041 0.000 2.544 283 Y HA 0.538 5.089 4.550 0.001 0.000 0.342 283 Y C -0.280 175.685 175.900 0.107 0.000 1.062 283 Y CA -1.391 56.770 58.100 0.101 0.000 1.023 283 Y CB 0.781 39.335 38.460 0.157 0.000 1.308 283 Y HN -0.081 nan 8.280 nan 0.000 0.457 284 E N 1.802 122.170 120.200 0.281 0.000 2.384 284 E HA 0.389 4.739 4.350 0.001 0.000 0.266 284 E C -0.453 176.225 176.600 0.129 0.000 1.012 284 E CA 0.241 56.708 56.400 0.112 0.000 0.901 284 E CB 0.799 30.515 29.700 0.026 0.000 0.967 284 E HN 0.850 nan 8.360 nan 0.000 0.435 285 T N 1.046 115.596 114.554 -0.007 0.000 2.887 285 T HA 0.333 4.683 4.350 0.001 0.000 0.292 285 T C -0.366 174.290 174.700 -0.073 0.000 1.087 285 T CA -0.922 61.187 62.100 0.015 0.000 1.009 285 T CB 0.559 69.418 68.868 -0.015 0.000 1.203 285 T HN 0.402 nan 8.240 nan 0.000 0.518 286 F N 2.691 122.496 119.950 -0.241 0.000 2.607 286 F HA 0.404 4.931 4.527 0.001 0.000 0.374 286 F C 1.009 176.665 175.800 -0.240 0.000 1.104 286 F CA 0.944 58.724 58.000 -0.366 0.000 1.296 286 F CB -0.573 37.920 39.000 -0.846 0.000 1.085 286 F HN 1.391 nan 8.300 nan 0.000 0.584 287 A N 2.812 124.898 122.820 -1.224 0.000 5.821 287 A HA -0.211 4.110 4.320 0.001 0.000 0.282 287 A C -0.698 176.623 177.584 -0.437 0.000 2.032 287 A CA 0.570 52.056 52.037 -0.919 0.000 0.715 287 A CB -2.006 16.350 19.000 -1.073 0.000 1.178 287 A HN 1.322 nan 8.150 nan 0.000 0.370 288 V N 1.355 121.080 119.914 -0.316 0.000 2.417 288 V HA 0.541 4.662 4.120 0.001 0.000 0.291 288 V C 0.206 176.207 176.094 -0.155 0.000 1.024 288 V CA 0.428 62.608 62.300 -0.201 0.000 0.861 288 V CB 1.295 33.024 31.823 -0.157 0.000 0.985 288 V HN 0.998 nan 8.190 nan 0.000 0.436 289 Q N 2.668 122.381 119.800 -0.146 0.000 2.448 289 Q HA -0.152 4.188 4.340 0.001 0.000 0.356 289 Q C -0.527 175.418 176.000 -0.092 0.000 1.430 289 Q CA 0.372 56.097 55.803 -0.130 0.000 1.011 289 Q CB -0.825 27.850 28.738 -0.104 0.000 1.203 289 Q HN 0.603 nan 8.270 nan 0.000 0.351 290 V N 1.057 120.925 119.914 -0.078 0.000 2.315 290 V HA 0.091 4.212 4.120 0.001 0.000 0.265 290 V C -1.429 174.685 176.094 0.032 0.000 1.019 290 V CA -1.060 61.240 62.300 -0.001 0.000 0.824 290 V CB 1.378 33.235 31.823 0.057 0.000 1.072 290 V HN 0.165 nan 8.190 nan 0.000 0.448 291 P HA -0.290 nan 4.420 nan 0.000 0.220 291 P C 1.649 179.077 177.300 0.213 0.000 1.155 291 P CA 2.236 65.422 63.100 0.143 0.000 0.880 291 P CB 0.312 32.089 31.700 0.128 0.000 0.790 292 A N -1.865 121.040 122.820 0.142 0.000 2.121 292 A HA -0.032 4.288 4.320 0.001 0.000 0.218 292 A C 1.368 179.013 177.584 0.102 0.000 1.154 292 A CA 1.073 53.184 52.037 0.125 0.000 0.679 292 A CB -0.887 18.197 19.000 0.139 0.000 0.795 292 A HN 0.182 nan 8.150 nan 0.000 0.458 293 M N 1.529 121.201 119.600 0.120 0.000 2.386 293 M HA 0.255 4.736 4.480 0.001 0.000 0.245 293 M C -2.851 173.529 176.300 0.133 0.000 0.982 293 M CA -1.814 53.577 55.300 0.150 0.000 0.860 293 M CB 1.624 34.305 32.600 0.136 0.000 1.371 293 M HN -0.026 nan 8.290 nan 0.000 0.425 294 P HA 0.108 nan 4.420 nan 0.000 0.275 294 P C -0.877 176.596 177.300 0.288 0.000 1.227 294 P CA -0.247 62.915 63.100 0.102 0.000 0.781 294 P CB 1.035 32.389 31.700 -0.576 0.000 0.906 295 K N 3.223 123.824 120.400 0.335 0.000 2.350 295 K HA 0.216 4.536 4.320 0.001 0.000 0.279 295 K C -0.263 176.564 176.600 0.380 0.000 1.027 295 K CA -0.419 56.041 56.287 0.287 0.000 0.969 295 K CB 0.105 32.636 32.500 0.053 0.000 0.954 295 K HN 0.464 nan 8.250 nan 0.000 0.474 296 L N 4.225 125.569 121.223 0.202 0.000 2.350 296 L HA 0.321 4.661 4.340 0.001 0.000 0.275 296 L C 0.798 177.717 176.870 0.082 0.000 1.099 296 L CA -0.434 54.425 54.840 0.031 0.000 0.808 296 L CB 1.064 43.050 42.059 -0.121 0.000 1.149 296 L HN 0.583 nan 8.230 nan 0.000 0.442 297 R N 1.234 121.756 120.500 0.037 0.000 2.870 297 R HA 0.067 4.408 4.340 0.001 0.000 0.254 297 R C 1.000 177.219 176.300 -0.135 0.000 1.392 297 R CA -0.044 56.129 56.100 0.121 0.000 1.322 297 R CB 0.227 30.490 30.300 -0.063 0.000 1.205 297 R HN 0.832 nan 8.270 nan 0.000 0.597 298 T N -0.970 113.476 114.554 -0.179 0.000 3.051 298 T HA -0.077 4.274 4.350 0.001 0.000 0.269 298 T C 1.038 175.651 174.700 -0.146 0.000 1.127 298 T CA 0.898 62.816 62.100 -0.303 0.000 1.107 298 T CB 0.051 68.496 68.868 -0.706 0.000 0.898 298 T HN 0.573 nan 8.240 nan 0.000 0.517 299 E N 1.118 121.267 120.200 -0.086 0.000 2.208 299 E HA 0.023 4.374 4.350 0.001 0.000 0.193 299 E C 0.782 177.325 176.600 -0.094 0.000 0.988 299 E CA -0.035 56.338 56.400 -0.046 0.000 0.828 299 E CB 0.005 29.711 29.700 0.009 0.000 0.763 299 E HN 0.399 nan 8.360 nan 0.000 0.478 300 N N 1.373 119.979 118.700 -0.156 0.000 2.416 300 N HA -0.006 4.735 4.740 0.001 0.000 0.265 300 N C -2.034 173.327 175.510 -0.250 0.000 1.195 300 N CA -1.579 51.351 53.050 -0.201 0.000 0.943 300 N CB 1.155 39.476 38.487 -0.278 0.000 1.115 300 N HN -0.182 nan 8.380 nan 0.000 0.481 301 P HA -0.169 nan 4.420 nan 0.000 0.217 301 P C 0.865 178.030 177.300 -0.225 0.000 1.151 301 P CA 1.295 64.282 63.100 -0.188 0.000 0.849 301 P CB 0.415 32.050 31.700 -0.108 0.000 0.787 302 E N -0.801 119.268 120.200 -0.218 0.000 2.051 302 E HA -0.139 4.211 4.350 0.001 0.000 0.192 302 E C 1.873 178.143 176.600 -0.550 0.000 0.991 302 E CA 1.116 57.399 56.400 -0.195 0.000 0.799 302 E CB -0.483 29.244 29.700 0.046 0.000 0.748 302 E HN -0.044 nan 8.360 nan 0.000 0.449 303 V N 0.973 120.323 119.914 -0.939 0.000 2.427 303 V HA -0.232 3.888 4.120 0.001 0.000 0.248 303 V C 2.310 178.107 176.094 -0.495 0.000 1.051 303 V CA 1.903 63.602 62.300 -1.001 0.000 1.048 303 V CB -0.416 30.855 31.823 -0.920 0.000 0.666 303 V HN 0.241 nan 8.190 nan 0.000 0.456 304 K N 0.378 120.516 120.400 -0.437 0.000 2.026 304 K HA -0.265 4.055 4.320 0.001 0.000 0.208 304 K C 2.174 178.325 176.600 -0.749 0.000 1.048 304 K CA 2.015 57.965 56.287 -0.561 0.000 0.929 304 K CB -0.157 31.954 32.500 -0.647 0.000 0.713 304 K HN 0.317 nan 8.250 nan 0.000 0.439 305 E N -0.237 119.691 120.200 -0.453 0.000 2.150 305 E HA -0.182 4.168 4.350 0.001 0.000 0.193 305 E C 1.663 178.249 176.600 -0.023 0.000 0.985 305 E CA 1.093 57.365 56.400 -0.212 0.000 0.814 305 E CB -0.321 29.331 29.700 -0.080 0.000 0.752 305 E HN 0.473 nan 8.360 nan 0.000 0.466 306 Y N 0.472 120.694 120.300 -0.130 0.000 2.092 306 Y HA -0.146 4.405 4.550 0.001 0.000 0.282 306 Y C 1.939 177.829 175.900 -0.018 0.000 1.126 306 Y CA 1.946 60.056 58.100 0.017 0.000 1.111 306 Y CB -0.409 38.105 38.460 0.090 0.000 0.987 306 Y HN -0.004 nan 8.280 nan 0.000 0.489 307 L N -0.655 120.583 121.223 0.025 0.000 2.129 307 L HA -0.290 4.051 4.340 0.001 0.000 0.212 307 L C 2.436 179.255 176.870 -0.085 0.000 1.087 307 L CA 1.536 56.226 54.840 -0.250 0.000 0.757 307 L CB -0.759 40.930 42.059 -0.617 0.000 0.896 307 L HN 0.340 nan 8.230 nan 0.000 0.434 308 F N 0.000 119.810 119.950 -0.233 0.000 2.186 308 F HA -0.215 4.313 4.527 0.001 0.000 0.299 308 F C 2.335 178.118 175.800 -0.029 0.000 1.090 308 F CA 0.375 58.298 58.000 -0.128 0.000 1.307 308 F CB -0.038 38.869 39.000 -0.154 0.000 1.019 308 F HN 0.162 nan 8.300 nan 0.000 0.489 309 D N 0.012 120.485 120.400 0.122 0.000 2.144 309 D HA -0.125 4.515 4.640 0.001 0.000 0.200 309 D C 2.353 178.701 176.300 0.080 0.000 0.978 309 D CA 0.849 54.881 54.000 0.054 0.000 0.833 309 D CB -0.404 40.367 40.800 -0.049 0.000 0.961 309 D HN 0.043 nan 8.370 nan 0.000 0.470 310 V N 1.371 121.308 119.914 0.039 0.000 2.392 310 V HA -0.259 3.862 4.120 0.001 0.000 0.249 310 V C 2.467 178.911 176.094 0.583 0.000 1.059 310 V CA 1.803 64.249 62.300 0.244 0.000 1.051 310 V CB -0.672 31.320 31.823 0.281 0.000 0.658 310 V HN 0.178 nan 8.190 nan 0.000 0.455 311 A N -0.087 123.027 122.820 0.491 0.000 1.855 311 A HA -0.202 4.118 4.320 0.001 0.000 0.215 311 A C 2.365 180.297 177.584 0.579 0.000 1.191 311 A CA 1.705 54.102 52.037 0.601 0.000 0.613 311 A CB -0.512 18.689 19.000 0.334 0.000 0.829 311 A HN 0.481 nan 8.150 nan 0.000 0.442 312 R N -1.760 118.932 120.500 0.320 0.000 2.094 312 R HA -0.200 4.141 4.340 0.001 0.000 0.239 312 R C 2.064 178.493 176.300 0.216 0.000 1.137 312 R CA 1.841 58.074 56.100 0.222 0.000 0.943 312 R CB -0.741 29.639 30.300 0.134 0.000 0.850 312 R HN 0.603 nan 8.270 nan 0.000 0.433 313 F N 0.107 120.070 119.950 0.022 0.000 2.126 313 F HA -0.248 4.279 4.527 0.001 0.000 0.299 313 F C 1.682 177.333 175.800 -0.248 0.000 1.096 313 F CA 1.574 59.459 58.000 -0.191 0.000 1.255 313 F CB -0.258 38.505 39.000 -0.394 0.000 0.997 313 F HN 0.036 nan 8.300 nan 0.000 0.479 314 W N -0.185 121.317 121.300 0.336 0.000 2.476 314 W HA -0.060 4.600 4.660 0.001 0.000 0.281 314 W C 2.336 178.939 176.519 0.140 0.000 1.230 314 W CA 0.582 58.060 57.345 0.223 0.000 1.287 314 W CB -0.358 29.386 29.460 0.472 0.000 1.108 314 W HN -0.055 nan 8.180 nan 0.000 0.567 315 M N -0.097 119.738 119.600 0.392 0.000 2.374 315 M HA -0.145 4.336 4.480 0.001 0.000 0.264 315 M C 1.388 177.754 176.300 0.109 0.000 1.067 315 M CA 1.496 56.954 55.300 0.263 0.000 1.103 315 M CB -0.597 32.194 32.600 0.318 0.000 1.402 315 M HN 0.115 nan 8.290 nan 0.000 0.444 316 E N -0.044 120.158 120.200 0.003 0.000 2.358 316 E HA -0.127 4.224 4.350 0.001 0.000 0.195 316 E C 1.660 178.186 176.600 -0.124 0.000 1.010 316 E CA 0.500 56.845 56.400 -0.092 0.000 0.856 316 E CB 0.258 29.846 29.700 -0.186 0.000 0.795 316 E HN 0.401 nan 8.360 nan 0.000 0.504 317 Q N -0.920 118.820 119.800 -0.099 0.000 2.403 317 Q HA 0.081 4.421 4.340 0.001 0.000 0.203 317 Q C 1.148 177.180 176.000 0.054 0.000 0.932 317 Q CA 0.788 56.585 55.803 -0.010 0.000 0.945 317 Q CB 1.080 29.934 28.738 0.194 0.000 1.045 317 Q HN 0.370 nan 8.270 nan 0.000 0.511 318 G N 1.643 110.485 108.800 0.071 0.000 2.141 318 G HA2 -0.248 3.712 3.960 0.001 0.000 0.231 318 G HA3 -0.248 3.712 3.960 0.001 0.000 0.231 318 G C 0.348 175.322 174.900 0.124 0.000 0.984 318 G CA 0.222 45.379 45.100 0.096 0.000 0.660 318 G HN 0.465 nan 8.290 nan 0.000 0.525 319 I N -2.285 118.350 120.570 0.108 0.000 2.938 319 I HA 0.396 4.567 4.170 0.001 0.000 0.285 319 I C 0.595 176.730 176.117 0.029 0.000 1.182 319 I CA 0.034 61.367 61.300 0.055 0.000 1.388 319 I CB 0.577 38.578 38.000 0.001 0.000 1.390 319 I HN -0.064 nan 8.210 nan 0.000 0.600 320 D N 3.350 123.765 120.400 0.026 0.000 2.349 320 D HA 0.286 4.926 4.640 0.001 0.000 0.214 320 D C 0.624 177.023 176.300 0.166 0.000 1.063 320 D CA 0.475 54.509 54.000 0.057 0.000 0.847 320 D CB 1.043 41.794 40.800 -0.083 0.000 0.933 320 D HN 0.894 nan 8.370 nan 0.000 0.513 321 G N 0.103 108.902 108.800 -0.002 0.000 2.320 321 G HA2 0.353 4.313 3.960 0.001 0.000 0.296 321 G HA3 0.353 4.313 3.960 0.001 0.000 0.296 321 G C -2.245 172.548 174.900 -0.178 0.000 1.306 321 G CA -1.039 44.099 45.100 0.064 0.000 0.836 321 G HN 0.042 nan 8.290 nan 0.000 0.517 322 W N -0.634 120.794 121.300 0.212 0.000 3.107 322 W HA 0.812 5.473 4.660 0.001 0.000 0.331 322 W C -0.213 176.256 176.519 -0.084 0.000 1.204 322 W CA -0.935 56.486 57.345 0.126 0.000 1.184 322 W CB 2.012 31.596 29.460 0.207 0.000 1.421 322 W HN 0.466 nan 8.180 nan 0.000 0.544 323 R N 2.579 123.139 120.500 0.099 0.000 2.360 323 R HA 0.492 4.832 4.340 0.001 0.000 0.318 323 R C -1.424 174.749 176.300 -0.213 0.000 0.950 323 R CA -0.789 55.154 56.100 -0.261 0.000 0.837 323 R CB 0.849 30.914 30.300 -0.393 0.000 1.165 323 R HN 0.755 nan 8.270 nan 0.000 0.458 324 L N 4.425 125.382 121.223 -0.442 0.000 2.282 324 L HA 0.297 4.638 4.340 0.001 0.000 0.287 324 L C 0.570 177.247 176.870 -0.322 0.000 1.075 324 L CA -0.754 53.809 54.840 -0.462 0.000 0.839 324 L CB 0.295 41.806 42.059 -0.913 0.000 1.219 324 L HN 0.475 nan 8.230 nan 0.000 0.434 325 N N 2.258 120.874 118.700 -0.139 0.000 2.454 325 N HA 0.080 4.821 4.740 0.001 0.000 0.260 325 N C 0.591 176.090 175.510 -0.018 0.000 1.218 325 N CA -0.021 53.009 53.050 -0.033 0.000 0.904 325 N CB 0.737 39.291 38.487 0.112 0.000 1.065 325 N HN 0.363 nan 8.380 nan 0.000 0.462 326 V N 1.713 121.619 119.914 -0.015 0.000 5.325 326 V HA -0.323 3.798 4.120 0.001 0.000 0.291 326 V C 1.545 177.672 176.094 0.056 0.000 0.541 326 V CA 1.137 63.474 62.300 0.062 0.000 0.687 326 V CB -2.995 28.961 31.823 0.222 0.000 0.491 326 V HN 0.830 nan 8.190 nan 0.000 1.145 327 A N 1.568 124.343 122.820 -0.075 0.000 1.972 327 A HA -0.178 4.142 4.320 0.001 0.000 0.219 327 A C 1.944 179.547 177.584 0.032 0.000 1.169 327 A CA 1.765 53.786 52.037 -0.026 0.000 0.635 327 A CB -0.409 18.268 19.000 -0.539 0.000 0.810 327 A HN 1.047 nan 8.150 nan 0.000 0.446 328 N N 0.240 118.810 118.700 -0.216 0.000 2.609 328 N HA -0.111 4.629 4.740 0.001 0.000 0.190 328 N C 0.619 176.231 175.510 0.169 0.000 1.157 328 N CA 1.099 54.032 53.050 -0.194 0.000 0.918 328 N CB -0.389 37.922 38.487 -0.293 0.000 0.978 328 N HN 0.667 nan 8.380 nan 0.000 0.448 329 E N 0.031 120.324 120.200 0.155 0.000 2.501 329 E HA 0.132 4.482 4.350 0.001 0.000 0.200 329 E C -0.513 176.144 176.600 0.096 0.000 1.016 329 E CA -0.267 56.214 56.400 0.136 0.000 0.921 329 E CB 0.979 30.741 29.700 0.103 0.000 1.034 329 E HN 0.179 nan 8.360 nan 0.000 0.468 330 V N 1.250 121.248 119.914 0.140 0.000 2.680 330 V HA 0.183 4.304 4.120 0.001 0.000 0.309 330 V C -0.766 175.322 176.094 -0.009 0.000 1.052 330 V CA -1.111 61.151 62.300 -0.063 0.000 0.908 330 V CB 1.728 33.348 31.823 -0.339 0.000 1.001 330 V HN 0.176 nan 8.190 nan 0.000 0.431 331 D N 3.532 123.882 120.400 -0.083 0.000 2.478 331 D HA -0.096 4.544 4.640 0.001 0.000 0.234 331 D C 0.626 176.981 176.300 0.091 0.000 1.154 331 D CA 0.560 54.577 54.000 0.029 0.000 0.874 331 D CB 0.687 41.519 40.800 0.054 0.000 1.198 331 D HN 0.786 nan 8.370 nan 0.000 0.455 332 H N 1.398 120.622 119.070 0.256 0.000 2.387 332 H HA -0.032 4.525 4.556 0.001 0.000 0.299 332 H C 2.161 177.638 175.328 0.248 0.000 1.090 332 H CA 2.232 58.453 56.048 0.289 0.000 1.332 332 H CB -0.099 29.724 29.762 0.102 0.000 1.386 332 H HN 0.653 nan 8.280 nan 0.000 0.516 333 A N 0.605 123.590 122.820 0.276 0.000 1.908 333 A HA -0.235 4.085 4.320 0.001 0.000 0.218 333 A C 2.144 179.859 177.584 0.219 0.000 1.181 333 A CA 1.680 53.835 52.037 0.198 0.000 0.627 333 A CB -1.011 18.065 19.000 0.126 0.000 0.818 333 A HN 0.476 nan 8.150 nan 0.000 0.445 334 F N -0.946 119.002 119.950 -0.003 0.000 2.102 334 F HA -0.180 4.348 4.527 0.001 0.000 0.298 334 F C 2.042 177.909 175.800 0.111 0.000 1.105 334 F CA 1.758 59.706 58.000 -0.088 0.000 1.239 334 F CB -0.480 38.258 39.000 -0.437 0.000 0.991 334 F HN 0.422 nan 8.300 nan 0.000 0.474 335 W N 0.363 122.025 121.300 0.602 0.000 2.388 335 W HA -0.067 4.593 4.660 0.001 0.000 0.294 335 W C 2.626 179.380 176.519 0.392 0.000 1.212 335 W CA 0.629 58.310 57.345 0.560 0.000 1.271 335 W CB -0.369 29.403 29.460 0.520 0.000 1.126 335 W HN -0.185 nan 8.180 nan 0.000 0.535 336 R N 0.554 121.339 120.500 0.474 0.000 2.081 336 R HA -0.155 4.185 4.340 0.001 0.000 0.235 336 R C 1.855 178.288 176.300 0.221 0.000 1.131 336 R CA 1.723 57.992 56.100 0.283 0.000 0.960 336 R CB -0.410 30.002 30.300 0.187 0.000 0.856 336 R HN 0.323 nan 8.270 nan 0.000 0.436 337 E N -0.249 120.085 120.200 0.223 0.000 2.072 337 E HA -0.173 4.177 4.350 0.001 0.000 0.190 337 E C 1.677 178.276 176.600 -0.002 0.000 0.982 337 E CA 0.869 57.361 56.400 0.153 0.000 0.803 337 E CB -0.153 29.699 29.700 0.253 0.000 0.755 337 E HN 0.196 nan 8.360 nan 0.000 0.453 338 F N 2.089 121.975 119.950 -0.108 0.000 2.161 338 F HA -0.211 4.317 4.527 0.001 0.000 0.300 338 F C 2.337 178.082 175.800 -0.093 0.000 1.089 338 F CA 1.596 59.386 58.000 -0.350 0.000 1.282 338 F CB 0.006 39.079 39.000 0.122 0.000 1.010 338 F HN -0.198 nan 8.300 nan 0.000 0.485 339 R N 0.299 120.880 120.500 0.134 0.000 2.075 339 R HA -0.169 4.172 4.340 0.001 0.000 0.232 339 R C 2.610 178.872 176.300 -0.064 0.000 1.126 339 R CA 1.529 57.660 56.100 0.053 0.000 0.963 339 R CB -0.419 29.991 30.300 0.184 0.000 0.858 339 R HN 0.300 nan 8.270 nan 0.000 0.435 340 R N 0.640 121.111 120.500 -0.048 0.000 2.096 340 R HA -0.125 4.216 4.340 0.001 0.000 0.235 340 R C 2.382 178.609 176.300 -0.122 0.000 1.127 340 R CA 1.438 57.505 56.100 -0.055 0.000 0.968 340 R CB -0.298 29.990 30.300 -0.020 0.000 0.861 340 R HN 0.357 nan 8.270 nan 0.000 0.440 341 L N 0.280 121.354 121.223 -0.248 0.000 2.023 341 L HA -0.115 4.225 4.340 0.001 0.000 0.205 341 L C 2.070 178.782 176.870 -0.263 0.000 1.073 341 L CA 1.221 55.882 54.840 -0.297 0.000 0.745 341 L CB -0.341 41.391 42.059 -0.544 0.000 0.900 341 L HN 0.019 nan 8.230 nan 0.000 0.435 342 V N 0.526 120.198 119.914 -0.403 0.000 2.219 342 V HA -0.309 3.812 4.120 0.001 0.000 0.248 342 V C 2.673 178.724 176.094 -0.072 0.000 1.053 342 V CA 2.005 64.154 62.300 -0.251 0.000 1.009 342 V CB -0.762 30.829 31.823 -0.385 0.000 0.636 342 V HN 0.442 nan 8.190 nan 0.000 0.445 343 K N 0.814 121.181 120.400 -0.055 0.000 2.286 343 K HA -0.133 4.188 4.320 0.001 0.000 0.203 343 K C 2.337 178.944 176.600 0.011 0.000 1.045 343 K CA 1.713 58.007 56.287 0.012 0.000 0.935 343 K CB -0.776 31.740 32.500 0.027 0.000 0.737 343 K HN 0.721 nan 8.250 nan 0.000 0.460 344 S N -0.355 115.335 115.700 -0.016 0.000 2.458 344 S HA 0.006 4.476 4.470 0.001 0.000 0.223 344 S C 1.881 176.484 174.600 0.005 0.000 1.019 344 S CA 0.030 58.228 58.200 -0.004 0.000 0.937 344 S CB -0.075 63.115 63.200 -0.017 0.000 0.788 344 S HN 0.085 nan 8.310 nan 0.000 0.511 345 L N 2.151 123.375 121.223 0.001 0.000 2.179 345 L HA 0.381 4.721 4.340 0.001 0.000 0.208 345 L C 0.650 177.547 176.870 0.044 0.000 1.096 345 L CA 1.050 55.903 54.840 0.022 0.000 0.779 345 L CB -0.561 41.515 42.059 0.028 0.000 0.922 345 L HN 0.664 nan 8.230 nan 0.000 0.443 346 N N -1.893 116.840 118.700 0.055 0.000 2.905 346 N HA 0.097 4.838 4.740 0.001 0.000 0.255 346 N C -2.447 173.116 175.510 0.089 0.000 1.199 346 N CA -0.751 52.343 53.050 0.074 0.000 0.911 346 N CB 1.539 40.083 38.487 0.094 0.000 1.550 346 N HN -0.273 nan 8.380 nan 0.000 0.599 347 P HA -0.021 nan 4.420 nan 0.000 0.221 347 P C -0.364 177.012 177.300 0.127 0.000 1.145 347 P CA 1.216 64.369 63.100 0.089 0.000 0.795 347 P CB 0.212 31.956 31.700 0.073 0.000 0.775 348 D N -1.511 118.989 120.400 0.167 0.000 2.463 348 D HA 0.219 4.859 4.640 0.001 0.000 0.224 348 D C 0.177 176.724 176.300 0.410 0.000 1.174 348 D CA -0.111 54.055 54.000 0.275 0.000 0.829 348 D CB -0.200 40.791 40.800 0.319 0.000 0.993 348 D HN 0.026 nan 8.370 nan 0.000 0.497 349 A N 0.872 123.866 122.820 0.290 0.000 2.309 349 A HA 0.442 4.762 4.320 0.001 0.000 0.290 349 A C -0.249 177.522 177.584 0.311 0.000 1.206 349 A CA -0.485 51.746 52.037 0.323 0.000 0.850 349 A CB 0.222 19.377 19.000 0.258 0.000 1.118 349 A HN 0.274 nan 8.150 nan 0.000 0.523 350 L N 3.696 125.141 121.223 0.371 0.000 2.290 350 L HA 0.557 4.897 4.340 0.001 0.000 0.284 350 L C -0.801 176.204 176.870 0.225 0.000 1.078 350 L CA -0.028 54.938 54.840 0.210 0.000 0.815 350 L CB 0.598 42.732 42.059 0.125 0.000 1.162 350 L HN 0.537 nan 8.230 nan 0.000 0.435 351 I N 6.298 126.958 120.570 0.150 0.000 2.330 351 I HA 0.341 4.512 4.170 0.001 0.000 0.286 351 I C -0.497 175.531 176.117 -0.149 0.000 1.025 351 I CA -0.046 61.325 61.300 0.119 0.000 1.197 351 I CB 1.386 39.517 38.000 0.218 0.000 1.358 351 I HN 0.267 nan 8.210 nan 0.000 0.467 352 V N 5.461 125.157 119.914 -0.362 0.000 2.459 352 V HA 0.766 4.886 4.120 0.001 0.000 0.295 352 V C 0.631 176.229 176.094 -0.827 0.000 1.029 352 V CA -0.625 61.273 62.300 -0.670 0.000 0.874 352 V CB 1.603 32.718 31.823 -1.180 0.000 0.985 352 V HN 0.797 nan 8.190 nan 0.000 0.438 353 G N 2.181 110.470 108.800 -0.852 0.000 2.410 353 G HA2 0.583 4.544 3.960 0.001 0.000 0.330 353 G HA3 0.583 4.544 3.960 0.001 0.000 0.330 353 G C -0.710 173.849 174.900 -0.567 0.000 1.142 353 G CA -0.332 44.178 45.100 -0.984 0.000 0.902 353 G HN 0.667 nan 8.290 nan 0.000 0.491 354 E N 1.190 121.098 120.200 -0.486 0.000 2.376 354 E HA 0.296 4.646 4.350 0.001 0.000 0.236 354 E C -0.720 175.731 176.600 -0.248 0.000 0.962 354 E CA -0.455 55.777 56.400 -0.281 0.000 0.768 354 E CB 0.484 30.058 29.700 -0.210 0.000 1.236 354 E HN 0.152 nan 8.360 nan 0.000 0.431 355 I N 3.175 123.614 120.570 -0.218 0.000 2.465 355 I HA 0.167 4.338 4.170 0.001 0.000 0.291 355 I C -0.318 175.715 176.117 -0.139 0.000 1.014 355 I CA -0.767 60.352 61.300 -0.302 0.000 1.093 355 I CB 1.143 38.831 38.000 -0.519 0.000 1.267 355 I HN 0.636 nan 8.210 nan 0.000 0.431 356 W N 8.177 129.227 121.300 -0.417 0.000 2.564 356 W HA 0.287 4.948 4.660 0.001 0.000 0.414 356 W C -0.091 176.192 176.519 -0.393 0.000 0.700 356 W CA -0.000 57.000 57.345 -0.575 0.000 2.430 356 W CB -0.308 28.906 29.460 -0.411 0.000 1.529 356 W HN 0.727 nan 8.180 nan 0.000 0.795 357 H N -2.795 116.222 119.070 -0.090 0.000 2.894 357 H HA 0.125 4.682 4.556 0.001 0.000 0.282 357 H C -0.715 174.790 175.328 0.294 0.000 1.448 357 H CA -1.291 54.796 56.048 0.065 0.000 1.158 357 H CB 0.107 29.887 29.762 0.031 0.000 1.818 357 H HN -0.192 nan 8.280 nan 0.000 0.493 358 D N 0.196 120.863 120.400 0.446 0.000 2.793 358 D HA 0.014 4.655 4.640 0.001 0.000 0.230 358 D C 0.521 177.145 176.300 0.541 0.000 1.139 358 D CA 1.153 55.422 54.000 0.448 0.000 0.838 358 D CB 0.461 41.462 40.800 0.335 0.000 1.149 358 D HN 0.725 nan 8.370 nan 0.000 0.526 359 A N 3.097 126.253 122.820 0.560 0.000 2.423 359 A HA 0.024 4.345 4.320 0.001 0.000 0.246 359 A C 1.928 179.754 177.584 0.403 0.000 1.278 359 A CA 0.413 52.752 52.037 0.503 0.000 0.903 359 A CB -0.142 18.944 19.000 0.143 0.000 0.997 359 A HN 0.577 nan 8.150 nan 0.000 0.510 360 S N -0.440 115.534 115.700 0.456 0.000 2.420 360 S HA -0.135 4.336 4.470 0.001 0.000 0.237 360 S C 1.891 176.536 174.600 0.075 0.000 1.023 360 S CA 1.636 60.027 58.200 0.318 0.000 0.991 360 S CB -0.815 62.602 63.200 0.361 0.000 0.792 360 S HN 0.664 nan 8.310 nan 0.000 0.488 361 G N 0.280 109.039 108.800 -0.068 0.000 2.422 361 G HA2 -0.112 3.849 3.960 0.001 0.000 0.218 361 G HA3 -0.112 3.849 3.960 0.001 0.000 0.218 361 G C 1.104 175.709 174.900 -0.490 0.000 1.146 361 G CA 0.561 45.403 45.100 -0.431 0.000 0.769 361 G HN 0.672 nan 8.290 nan 0.000 0.547 362 W N -0.141 121.072 121.300 -0.145 0.000 3.278 362 W HA 0.449 5.110 4.660 0.001 0.000 0.308 362 W C 0.439 176.715 176.519 -0.405 0.000 1.253 362 W CA -0.266 56.808 57.345 -0.452 0.000 1.759 362 W CB 0.117 29.003 29.460 -0.956 0.000 1.093 362 W HN 0.066 nan 8.180 nan 0.000 0.648 363 L N 0.929 122.118 121.223 -0.056 0.000 3.100 363 L HA 0.189 4.529 4.340 0.001 0.000 0.259 363 L C 1.398 178.255 176.870 -0.022 0.000 1.316 363 L CA -0.198 54.627 54.840 -0.025 0.000 0.992 363 L CB 0.073 42.083 42.059 -0.082 0.000 1.390 363 L HN -0.187 nan 8.230 nan 0.000 0.550 364 M N -0.639 118.829 119.600 -0.221 0.000 2.465 364 M HA 0.311 4.791 4.480 0.001 0.000 0.249 364 M C 1.523 177.448 176.300 -0.625 0.000 1.130 364 M CA 0.807 55.972 55.300 -0.224 0.000 1.067 364 M CB 0.296 32.808 32.600 -0.147 0.000 1.394 364 M HN 0.463 nan 8.290 nan 0.000 0.483 365 G N 1.256 109.346 108.800 -1.184 0.000 2.229 365 G HA2 -0.174 3.787 3.960 0.001 0.000 0.189 365 G HA3 -0.174 3.787 3.960 0.001 0.000 0.189 365 G C 0.183 174.718 174.900 -0.608 0.000 1.000 365 G CA 0.289 44.408 45.100 -1.635 0.000 0.663 365 G HN 0.518 nan 8.290 nan 0.000 0.493 366 D N -0.128 120.061 120.400 -0.352 0.000 2.462 366 D HA 0.303 4.944 4.640 0.001 0.000 0.221 366 D C 1.053 177.332 176.300 -0.034 0.000 1.173 366 D CA 0.336 54.253 54.000 -0.138 0.000 0.831 366 D CB 0.351 41.101 40.800 -0.084 0.000 1.001 366 D HN 0.529 nan 8.370 nan 0.000 0.499 367 Q N -0.714 119.052 119.800 -0.057 0.000 1.682 367 Q HA 0.316 4.657 4.340 0.001 0.000 0.146 367 Q C -0.124 176.035 176.000 0.265 0.000 0.420 367 Q CA -0.362 55.492 55.803 0.085 0.000 0.706 367 Q CB 0.928 29.595 28.738 -0.119 0.000 0.815 367 Q HN 0.083 nan 8.270 nan 0.000 0.233 368 F N 1.340 121.309 119.950 0.033 0.000 2.380 368 F HA 0.243 4.770 4.527 0.001 0.000 0.319 368 F C 0.842 176.665 175.800 0.039 0.000 1.113 368 F CA -0.836 57.153 58.000 -0.019 0.000 1.056 368 F CB 0.755 39.679 39.000 -0.126 0.000 1.289 368 F HN 0.240 nan 8.300 nan 0.000 0.515 369 D N -0.501 120.049 120.400 0.250 0.000 2.338 369 D HA 0.049 4.690 4.640 0.001 0.000 0.208 369 D C 0.428 176.808 176.300 0.133 0.000 0.997 369 D CA 0.800 54.945 54.000 0.242 0.000 0.880 369 D CB 0.704 41.572 40.800 0.114 0.000 0.980 369 D HN 0.456 nan 8.370 nan 0.000 0.509 370 S N -0.779 114.927 115.700 0.011 0.000 2.683 370 S HA 0.538 5.009 4.470 0.001 0.000 0.269 370 S C -0.974 173.501 174.600 -0.208 0.000 1.165 370 S CA -0.596 57.543 58.200 -0.101 0.000 0.840 370 S CB 1.501 64.615 63.200 -0.142 0.000 1.169 370 S HN 0.002 nan 8.310 nan 0.000 0.490 371 V N -2.342 117.429 119.914 -0.238 0.000 3.181 371 V HA 0.701 4.822 4.120 0.001 0.000 0.307 371 V C -0.709 175.260 176.094 -0.209 0.000 1.310 371 V CA -1.424 60.712 62.300 -0.274 0.000 1.067 371 V CB 1.511 33.245 31.823 -0.148 0.000 1.081 371 V HN 0.974 nan 8.190 nan 0.000 0.453 372 M N 2.913 122.430 119.600 -0.138 0.000 2.219 372 M HA 0.317 4.797 4.480 0.001 0.000 0.353 372 M C 0.114 176.507 176.300 0.155 0.000 1.304 372 M CA 0.272 55.597 55.300 0.041 0.000 1.115 372 M CB -0.352 32.295 32.600 0.079 0.000 1.664 372 M HN 0.852 nan 8.290 nan 0.000 0.459 373 N N 3.392 122.192 118.700 0.167 0.000 3.188 373 N HA 0.016 4.756 4.740 0.001 0.000 0.279 373 N C 0.594 176.213 175.510 0.182 0.000 1.213 373 N CA -0.130 53.009 53.050 0.147 0.000 1.138 373 N CB -0.210 38.352 38.487 0.124 0.000 1.417 373 N HN 0.539 nan 8.380 nan 0.000 0.526 374 Y N 0.076 120.506 120.300 0.217 0.000 2.483 374 Y HA -0.082 4.469 4.550 0.001 0.000 0.291 374 Y C 1.313 177.339 175.900 0.210 0.000 1.143 374 Y CA 0.420 58.672 58.100 0.254 0.000 1.289 374 Y CB -0.091 38.584 38.460 0.359 0.000 0.983 374 Y HN 0.166 nan 8.280 nan 0.000 0.556 375 L N 0.037 120.883 121.223 -0.628 0.000 2.027 375 L HA -0.094 4.246 4.340 0.001 0.000 0.206 375 L C 2.373 179.199 176.870 -0.074 0.000 1.074 375 L CA 1.491 56.071 54.840 -0.433 0.000 0.745 375 L CB -1.488 40.301 42.059 -0.450 0.000 0.898 375 L HN 0.431 nan 8.230 nan 0.000 0.433 376 F N 0.478 120.372 119.950 -0.094 0.000 2.154 376 F HA -0.276 4.252 4.527 0.001 0.000 0.301 376 F C 2.743 178.583 175.800 0.067 0.000 1.087 376 F CA 1.950 59.952 58.000 0.002 0.000 1.274 376 F CB -0.272 38.770 39.000 0.068 0.000 1.009 376 F HN 0.045 nan 8.300 nan 0.000 0.485 377 R N 0.379 121.045 120.500 0.277 0.000 2.075 377 R HA -0.139 4.202 4.340 0.001 0.000 0.232 377 R C 2.194 178.573 176.300 0.131 0.000 1.126 377 R CA 1.828 58.053 56.100 0.208 0.000 0.963 377 R CB -0.391 30.088 30.300 0.298 0.000 0.858 377 R HN 0.403 nan 8.270 nan 0.000 0.435 378 E N -0.270 120.005 120.200 0.125 0.000 2.110 378 E HA -0.123 4.227 4.350 0.001 0.000 0.193 378 E C 1.945 178.576 176.600 0.052 0.000 0.988 378 E CA 1.545 58.012 56.400 0.111 0.000 0.804 378 E CB 0.136 29.900 29.700 0.107 0.000 0.745 378 E HN 0.290 nan 8.360 nan 0.000 0.458 379 S N 0.054 115.740 115.700 -0.024 0.000 2.371 379 S HA -0.103 4.367 4.470 0.001 0.000 0.224 379 S C 2.155 176.827 174.600 0.120 0.000 1.029 379 S CA 0.772 58.958 58.200 -0.023 0.000 0.978 379 S CB -0.024 63.036 63.200 -0.233 0.000 0.833 379 S HN 0.059 nan 8.310 nan 0.000 0.466 380 V N 2.430 122.362 119.914 0.030 0.000 2.358 380 V HA -0.124 3.996 4.120 0.001 0.000 0.246 380 V C 2.211 178.519 176.094 0.356 0.000 1.047 380 V CA 1.129 63.533 62.300 0.173 0.000 1.035 380 V CB -0.611 31.146 31.823 -0.111 0.000 0.658 380 V HN 0.400 nan 8.190 nan 0.000 0.452 381 I N 0.295 121.061 120.570 0.328 0.000 2.099 381 I HA -0.247 3.923 4.170 0.001 0.000 0.239 381 I C 2.645 178.848 176.117 0.144 0.000 1.066 381 I CA 1.926 63.431 61.300 0.340 0.000 1.324 381 I CB -0.955 37.197 38.000 0.254 0.000 1.037 381 I HN 0.283 nan 8.210 nan 0.000 0.401 382 R N -0.823 119.733 120.500 0.093 0.000 2.237 382 R HA -0.175 4.166 4.340 0.001 0.000 0.219 382 R C 2.011 178.306 176.300 -0.009 0.000 1.080 382 R CA 1.015 57.132 56.100 0.028 0.000 0.995 382 R CB -0.185 30.128 30.300 0.022 0.000 0.875 382 R HN 0.269 nan 8.270 nan 0.000 0.462 383 F N -0.675 119.109 119.950 -0.276 0.000 2.222 383 F HA 0.123 4.651 4.527 0.001 0.000 0.285 383 F C 1.322 176.765 175.800 -0.595 0.000 1.068 383 F CA 0.815 58.445 58.000 -0.617 0.000 1.265 383 F CB -0.214 37.988 39.000 -1.330 0.000 1.087 383 F HN -0.197 nan 8.300 nan 0.000 0.511 384 F N 0.063 119.820 119.950 -0.322 0.000 2.179 384 F HA 0.152 4.680 4.527 0.001 0.000 0.292 384 F C 2.492 178.162 175.800 -0.217 0.000 1.089 384 F CA 0.965 58.779 58.000 -0.311 0.000 1.295 384 F CB -1.094 37.870 39.000 -0.060 0.000 1.041 384 F HN 0.039 nan 8.300 nan 0.000 0.487 385 A N 0.218 123.039 122.820 0.002 0.000 1.832 385 A HA -0.137 4.183 4.320 0.001 0.000 0.214 385 A C 2.186 179.685 177.584 -0.141 0.000 1.204 385 A CA 2.217 54.134 52.037 -0.199 0.000 0.606 385 A CB -1.393 17.361 19.000 -0.409 0.000 0.849 385 A HN 0.367 nan 8.150 nan 0.000 0.445 386 T N -4.267 110.229 114.554 -0.096 0.000 3.067 386 T HA 0.376 4.726 4.350 0.001 0.000 0.257 386 T C 1.399 176.052 174.700 -0.078 0.000 1.105 386 T CA 1.173 63.227 62.100 -0.076 0.000 1.104 386 T CB -0.107 68.734 68.868 -0.045 0.000 0.925 386 T HN 1.817 nan 8.240 nan 0.000 0.498 387 G N 1.719 110.453 108.800 -0.109 0.000 2.198 387 G HA2 -0.279 3.682 3.960 0.001 0.000 0.260 387 G HA3 -0.279 3.682 3.960 0.001 0.000 0.260 387 G C 0.441 175.297 174.900 -0.073 0.000 1.025 387 G CA 0.484 45.512 45.100 -0.120 0.000 0.769 387 G HN 0.624 nan 8.290 nan 0.000 0.507 388 E N -0.738 119.428 120.200 -0.057 0.000 2.371 388 E HA 0.208 4.559 4.350 0.001 0.000 0.194 388 E C 1.432 177.995 176.600 -0.063 0.000 1.012 388 E CA 0.933 57.306 56.400 -0.045 0.000 0.860 388 E CB 0.194 29.873 29.700 -0.034 0.000 0.811 388 E HN 0.911 nan 8.360 nan 0.000 0.502 389 I N -1.786 118.749 120.570 -0.059 0.000 2.730 389 I HA 0.374 4.545 4.170 0.001 0.000 0.298 389 I C 0.057 176.171 176.117 -0.005 0.000 1.089 389 I CA -1.211 60.016 61.300 -0.122 0.000 1.041 389 I CB 1.824 39.749 38.000 -0.125 0.000 1.235 389 I HN -0.141 nan 8.210 nan 0.000 0.423 390 H N 3.499 122.618 119.070 0.081 0.000 2.530 390 H HA 0.567 5.123 4.556 0.001 0.000 0.342 390 H C 0.913 176.300 175.328 0.098 0.000 1.312 390 H CA -0.423 55.705 56.048 0.132 0.000 1.376 390 H CB 1.442 31.235 29.762 0.051 0.000 1.692 390 H HN 0.798 nan 8.280 nan 0.000 0.622 391 A N 0.480 123.538 122.820 0.396 0.000 1.986 391 A HA -0.222 4.099 4.320 0.001 0.000 0.220 391 A C 2.055 179.710 177.584 0.117 0.000 1.171 391 A CA 1.967 54.083 52.037 0.131 0.000 0.640 391 A CB -0.783 18.365 19.000 0.246 0.000 0.811 391 A HN 0.859 nan 8.150 nan 0.000 0.451 392 E N -1.328 119.066 120.200 0.323 0.000 2.112 392 E HA -0.137 4.214 4.350 0.001 0.000 0.190 392 E C 2.258 178.913 176.600 0.092 0.000 0.979 392 E CA 0.955 57.475 56.400 0.200 0.000 0.814 392 E CB -0.099 29.687 29.700 0.144 0.000 0.762 392 E HN 0.489 nan 8.360 nan 0.000 0.460 393 R N 0.969 121.482 120.500 0.022 0.000 2.090 393 R HA -0.091 4.249 4.340 0.001 0.000 0.228 393 R C 1.838 178.007 176.300 -0.218 0.000 1.110 393 R CA 1.062 57.059 56.100 -0.172 0.000 0.973 393 R CB -0.783 29.285 30.300 -0.388 0.000 0.869 393 R HN 0.186 nan 8.270 nan 0.000 0.440 394 F N 0.994 120.644 119.950 -0.500 0.000 2.069 394 F HA -0.242 4.286 4.527 0.001 0.000 0.298 394 F C 1.990 177.367 175.800 -0.705 0.000 1.113 394 F CA 2.103 59.625 58.000 -0.797 0.000 1.214 394 F CB -0.395 37.666 39.000 -1.564 0.000 0.978 394 F HN 0.198 nan 8.300 nan 0.000 0.474 395 D N 0.516 120.551 120.400 -0.609 0.000 2.116 395 D HA -0.243 4.398 4.640 0.001 0.000 0.193 395 D C 2.182 178.312 176.300 -0.283 0.000 0.998 395 D CA 1.729 55.489 54.000 -0.399 0.000 0.836 395 D CB -0.529 40.310 40.800 0.065 0.000 0.951 395 D HN 0.361 nan 8.370 nan 0.000 0.449 396 A N 0.653 123.355 122.820 -0.196 0.000 1.841 396 A HA -0.215 4.106 4.320 0.001 0.000 0.216 396 A C 2.195 179.676 177.584 -0.172 0.000 1.199 396 A CA 2.013 53.978 52.037 -0.121 0.000 0.621 396 A CB -0.902 18.053 19.000 -0.075 0.000 0.835 396 A HN 0.391 nan 8.150 nan 0.000 0.445 397 E N -0.730 119.327 120.200 -0.239 0.000 2.097 397 E HA -0.240 4.110 4.350 0.001 0.000 0.196 397 E C 1.928 178.350 176.600 -0.295 0.000 1.000 397 E CA 1.303 57.558 56.400 -0.243 0.000 0.804 397 E CB -0.342 29.200 29.700 -0.264 0.000 0.740 397 E HN 0.389 nan 8.360 nan 0.000 0.454 398 L N 0.792 121.735 121.223 -0.466 0.000 1.989 398 L HA -0.187 4.154 4.340 0.001 0.000 0.211 398 L C 2.416 179.170 176.870 -0.194 0.000 1.071 398 L CA 1.978 56.562 54.840 -0.428 0.000 0.749 398 L CB -0.997 40.636 42.059 -0.709 0.000 0.890 398 L HN 0.123 nan 8.230 nan 0.000 0.431 399 T N -1.511 112.944 114.554 -0.165 0.000 2.821 399 T HA -0.197 4.154 4.350 0.001 0.000 0.267 399 T C 2.054 176.657 174.700 -0.161 0.000 1.046 399 T CA 1.202 63.236 62.100 -0.110 0.000 1.139 399 T CB -0.171 68.674 68.868 -0.038 0.000 0.871 399 T HN 0.229 nan 8.240 nan 0.000 0.454 400 R N 0.832 121.262 120.500 -0.117 0.000 2.096 400 R HA 0.005 4.345 4.340 0.001 0.000 0.235 400 R C 2.577 178.763 176.300 -0.189 0.000 1.127 400 R CA 1.275 57.312 56.100 -0.105 0.000 0.968 400 R CB -0.358 29.924 30.300 -0.030 0.000 0.861 400 R HN 0.382 nan 8.270 nan 0.000 0.440 401 A N 0.604 123.315 122.820 -0.183 0.000 1.930 401 A HA -0.123 4.197 4.320 0.001 0.000 0.217 401 A C 2.116 179.566 177.584 -0.223 0.000 1.175 401 A CA 0.958 52.872 52.037 -0.206 0.000 0.627 401 A CB -0.470 18.444 19.000 -0.144 0.000 0.815 401 A HN 0.264 nan 8.150 nan 0.000 0.443 402 R N -1.027 119.366 120.500 -0.178 0.000 2.091 402 R HA -0.109 4.231 4.340 0.001 0.000 0.238 402 R C 1.521 177.664 176.300 -0.262 0.000 1.136 402 R CA 1.685 57.681 56.100 -0.172 0.000 0.959 402 R CB -0.221 29.995 30.300 -0.140 0.000 0.856 402 R HN 0.415 nan 8.270 nan 0.000 0.437 403 M N 0.285 119.657 119.600 -0.380 0.000 2.595 403 M HA -0.054 4.426 4.480 0.001 0.000 0.248 403 M C 1.812 177.896 176.300 -0.360 0.000 1.119 403 M CA 0.410 55.438 55.300 -0.453 0.000 1.079 403 M CB -0.619 31.477 32.600 -0.840 0.000 1.472 403 M HN 0.074 nan 8.290 nan 0.000 0.501 404 L N -0.571 120.398 121.223 -0.423 0.000 1.990 404 L HA -0.154 4.187 4.340 0.001 0.000 0.213 404 L C 0.662 177.231 176.870 -0.503 0.000 1.072 404 L CA 1.852 56.339 54.840 -0.588 0.000 0.755 404 L CB -0.767 40.648 42.059 -1.074 0.000 0.889 404 L HN 0.213 nan 8.230 nan 0.000 0.432 405 Y N -2.868 117.397 120.300 -0.058 0.000 2.686 405 Y HA 0.507 5.058 4.550 0.001 0.000 0.330 405 Y C -2.053 173.756 175.900 -0.152 0.000 1.082 405 Y CA -3.034 55.031 58.100 -0.059 0.000 1.158 405 Y CB -0.422 38.029 38.460 -0.016 0.000 1.333 405 Y HN -0.251 nan 8.280 nan 0.000 0.519 406 P HA 0.040 nan 4.420 nan 0.000 0.272 406 P C 0.337 177.450 177.300 -0.313 0.000 1.223 406 P CA -0.082 62.721 63.100 -0.496 0.000 0.784 406 P CB 0.667 31.874 31.700 -0.822 0.000 0.923 407 E N 1.797 121.873 120.200 -0.207 0.000 2.114 407 E HA -0.346 4.004 4.350 0.001 0.000 0.199 407 E C 1.108 177.545 176.600 -0.271 0.000 1.008 407 E CA 1.513 57.828 56.400 -0.142 0.000 0.810 407 E CB -0.630 29.058 29.700 -0.020 0.000 0.739 407 E HN 0.382 nan 8.360 nan 0.000 0.456 408 Q N 1.076 120.599 119.800 -0.461 0.000 2.112 408 Q HA -0.159 4.181 4.340 0.001 0.000 0.206 408 Q C 2.208 177.828 176.000 -0.634 0.000 0.987 408 Q CA 2.504 57.909 55.803 -0.663 0.000 0.858 408 Q CB -0.412 27.584 28.738 -1.238 0.000 0.905 408 Q HN 0.523 nan 8.270 nan 0.000 0.420 409 A N 0.289 122.742 122.820 -0.612 0.000 1.855 409 A HA 0.097 4.417 4.320 0.001 0.000 0.213 409 A C 2.283 179.790 177.584 -0.128 0.000 1.195 409 A CA 1.253 53.123 52.037 -0.278 0.000 0.610 409 A CB -1.078 17.861 19.000 -0.101 0.000 0.837 409 A HN 0.362 nan 8.150 nan 0.000 0.444 410 A N -0.373 122.403 122.820 -0.072 0.000 1.903 410 A HA -0.301 4.019 4.320 0.001 0.000 0.219 410 A C 2.194 179.722 177.584 -0.094 0.000 1.191 410 A CA 2.135 54.156 52.037 -0.026 0.000 0.638 410 A CB -0.668 18.302 19.000 -0.049 0.000 0.823 410 A HN 0.595 nan 8.150 nan 0.000 0.451 411 Q N 0.131 119.847 119.800 -0.140 0.000 2.234 411 Q HA -0.130 4.211 4.340 0.001 0.000 0.206 411 Q C 1.415 177.339 176.000 -0.128 0.000 0.980 411 Q CA 1.907 57.621 55.803 -0.148 0.000 0.869 411 Q CB -0.530 28.116 28.738 -0.154 0.000 0.912 411 Q HN 0.529 nan 8.270 nan 0.000 0.436 412 G N 0.745 109.480 108.800 -0.109 0.000 3.690 412 G HA2 0.291 4.251 3.960 0.001 0.000 0.283 412 G HA3 0.291 4.251 3.960 0.001 0.000 0.283 412 G C -0.329 174.588 174.900 0.029 0.000 1.057 412 G CA -0.478 44.589 45.100 -0.056 0.000 0.821 412 G HN 0.105 nan 8.290 nan 0.000 0.526 413 L N 1.095 122.322 121.223 0.007 0.000 2.462 413 L HA 0.272 4.613 4.340 0.001 0.000 0.272 413 L C -0.178 176.778 176.870 0.143 0.000 1.166 413 L CA -1.269 53.601 54.840 0.051 0.000 0.880 413 L CB -0.069 42.016 42.059 0.043 0.000 1.142 413 L HN 0.217 nan 8.230 nan 0.000 0.473 414 W N 4.262 125.488 121.300 -0.123 0.000 2.666 414 W HA 0.122 4.782 4.660 0.001 0.000 0.365 414 W C 0.424 176.833 176.519 -0.183 0.000 1.224 414 W CA -0.732 56.530 57.345 -0.139 0.000 1.515 414 W CB -0.891 28.504 29.460 -0.108 0.000 1.562 414 W HN 0.420 nan 8.180 nan 0.000 0.455 415 N N 5.126 123.710 118.700 -0.194 0.000 2.421 415 N HA 0.126 4.867 4.740 0.001 0.000 0.260 415 N C -0.072 175.186 175.510 -0.420 0.000 1.173 415 N CA -0.027 52.644 53.050 -0.632 0.000 0.960 415 N CB 0.194 37.838 38.487 -1.405 0.000 1.273 415 N HN 0.385 nan 8.380 nan 0.000 0.497 416 L N -1.069 120.127 121.223 -0.046 0.000 2.365 416 L HA 0.567 4.907 4.340 0.001 0.000 0.267 416 L C 0.438 177.433 176.870 0.208 0.000 1.033 416 L CA -0.845 54.045 54.840 0.084 0.000 0.802 416 L CB 1.190 43.330 42.059 0.135 0.000 1.267 416 L HN 0.189 nan 8.230 nan 0.000 0.457 417 L N -0.588 120.681 121.223 0.076 0.000 2.500 417 L HA 0.305 4.646 4.340 0.001 0.000 0.219 417 L C -0.411 176.494 176.870 0.058 0.000 1.057 417 L CA 0.183 54.977 54.840 -0.077 0.000 0.854 417 L CB 0.134 41.964 42.059 -0.382 0.000 1.078 417 L HN 0.885 nan 8.230 nan 0.000 0.480 418 D N -1.699 118.725 120.400 0.040 0.000 2.768 418 D HA 0.506 5.147 4.640 0.001 0.000 0.327 418 D C -0.599 175.546 176.300 -0.258 0.000 1.302 418 D CA -0.342 53.630 54.000 -0.046 0.000 0.897 418 D CB 1.303 42.092 40.800 -0.017 0.000 1.420 418 D HN -0.036 nan 8.370 nan 0.000 0.494 419 S N -2.106 113.292 115.700 -0.503 0.000 2.757 419 S HA 0.310 4.781 4.470 0.001 0.000 0.285 419 S C 0.065 174.196 174.600 -0.783 0.000 1.196 419 S CA -0.693 57.101 58.200 -0.676 0.000 0.856 419 S CB 0.444 63.463 63.200 -0.301 0.000 1.212 419 S HN 0.822 nan 8.310 nan 0.000 0.516 420 H N 0.155 119.039 119.070 -0.309 0.000 2.556 420 H HA 0.351 4.908 4.556 0.001 0.000 0.273 420 H C 0.196 175.466 175.328 -0.097 0.000 1.030 420 H CA 0.531 56.522 56.048 -0.096 0.000 1.156 420 H CB -0.945 28.847 29.762 0.051 0.000 1.326 420 H HN 0.634 nan 8.280 nan 0.000 0.609 421 N N 0.415 118.876 118.700 -0.398 0.000 2.160 421 N HA 0.035 4.775 4.740 0.001 0.000 0.226 421 N C -0.410 174.981 175.510 -0.199 0.000 1.256 421 N CA 0.256 53.128 53.050 -0.297 0.000 0.890 421 N CB 1.362 39.605 38.487 -0.406 0.000 1.116 421 N HN 0.393 nan 8.380 nan 0.000 0.517 422 T N -2.235 112.208 114.554 -0.184 0.000 2.841 422 T HA 0.305 4.655 4.350 0.001 0.000 0.296 422 T C -0.577 174.079 174.700 -0.073 0.000 1.166 422 T CA -1.023 61.013 62.100 -0.107 0.000 1.007 422 T CB 1.684 70.507 68.868 -0.074 0.000 1.253 422 T HN 0.108 nan 8.240 nan 0.000 0.511 423 E N 0.808 120.992 120.200 -0.027 0.000 2.409 423 E HA 0.226 4.576 4.350 0.001 0.000 0.257 423 E C -0.406 176.206 176.600 0.020 0.000 1.150 423 E CA -0.835 55.559 56.400 -0.009 0.000 0.942 423 E CB 0.659 30.358 29.700 -0.002 0.000 0.979 423 E HN 0.459 nan 8.360 nan 0.000 0.447 424 R N 1.017 121.541 120.500 0.041 0.000 2.438 424 R HA 0.062 4.403 4.340 0.001 0.000 0.287 424 R C 0.663 177.080 176.300 0.195 0.000 1.077 424 R CA -0.294 55.876 56.100 0.115 0.000 1.034 424 R CB 0.262 30.619 30.300 0.094 0.000 0.993 424 R HN 0.628 nan 8.270 nan 0.000 0.459 425 F N 2.808 122.849 119.950 0.151 0.000 2.111 425 F HA -0.307 4.221 4.527 0.001 0.000 0.300 425 F C 2.012 177.978 175.800 0.276 0.000 1.088 425 F CA 1.649 59.771 58.000 0.204 0.000 1.243 425 F CB -0.027 39.107 39.000 0.223 0.000 0.996 425 F HN 0.471 nan 8.300 nan 0.000 0.483 426 L N -0.520 120.949 121.223 0.409 0.000 2.187 426 L HA -0.213 4.127 4.340 0.001 0.000 0.213 426 L C 1.891 178.741 176.870 -0.034 0.000 1.100 426 L CA 2.181 57.111 54.840 0.150 0.000 0.765 426 L CB -1.083 40.859 42.059 -0.194 0.000 0.904 426 L HN 0.224 nan 8.230 nan 0.000 0.437 427 T N -0.827 113.711 114.554 -0.027 0.000 2.978 427 T HA -0.053 4.298 4.350 0.001 0.000 0.262 427 T C 1.985 176.628 174.700 -0.095 0.000 1.063 427 T CA 1.204 63.268 62.100 -0.059 0.000 1.140 427 T CB 0.141 68.987 68.868 -0.035 0.000 0.886 427 T HN 0.388 nan 8.240 nan 0.000 0.470 428 S N 0.790 116.409 115.700 -0.135 0.000 2.399 428 S HA -0.094 4.376 4.470 0.001 0.000 0.231 428 S C 1.955 176.406 174.600 -0.248 0.000 1.022 428 S CA 0.661 58.748 58.200 -0.190 0.000 0.983 428 S CB -0.418 62.623 63.200 -0.265 0.000 0.803 428 S HN 0.544 nan 8.310 nan 0.000 0.480 429 C N 1.608 120.730 119.300 -0.297 0.000 2.613 429 C HA 0.411 4.871 4.460 0.001 0.000 0.273 429 C C 1.881 176.783 174.990 -0.147 0.000 1.304 429 C CA -0.381 58.494 59.018 -0.239 0.000 1.702 429 C CB -1.731 25.888 27.740 -0.202 0.000 1.792 429 C HN 0.731 nan 8.230 nan 0.000 0.588 430 G N 0.676 109.402 108.800 -0.122 0.000 2.341 430 G HA2 -0.006 3.955 3.960 0.001 0.000 0.292 430 G HA3 -0.006 3.955 3.960 0.001 0.000 0.292 430 G C 1.026 175.872 174.900 -0.090 0.000 1.021 430 G CA 0.616 45.660 45.100 -0.093 0.000 0.905 430 G HN 1.464 nan 8.290 nan 0.000 0.508 431 G N -1.054 107.688 108.800 -0.097 0.000 2.184 431 G HA2 -0.355 3.605 3.960 0.001 0.000 0.264 431 G HA3 -0.355 3.605 3.960 0.001 0.000 0.264 431 G C 0.391 175.228 174.900 -0.105 0.000 0.975 431 G CA 0.716 45.755 45.100 -0.101 0.000 0.642 431 G HN 1.366 nan 8.290 nan 0.000 0.536 432 N N 1.103 119.739 118.700 -0.107 0.000 2.402 432 N HA 0.154 4.895 4.740 0.001 0.000 0.259 432 N C 1.224 176.681 175.510 -0.090 0.000 1.167 432 N CA 0.550 53.526 53.050 -0.124 0.000 0.949 432 N CB 0.515 38.897 38.487 -0.175 0.000 1.212 432 N HN 0.617 nan 8.380 nan 0.000 0.493 433 E N 3.271 123.422 120.200 -0.082 0.000 2.077 433 E HA -0.191 4.159 4.350 0.001 0.000 0.193 433 E C 1.521 178.135 176.600 0.023 0.000 0.989 433 E CA 1.072 57.461 56.400 -0.020 0.000 0.800 433 E CB 0.132 29.798 29.700 -0.057 0.000 0.746 433 E HN 0.727 nan 8.360 nan 0.000 0.452 434 A N 1.666 124.422 122.820 -0.107 0.000 1.869 434 A HA -0.293 4.027 4.320 0.001 0.000 0.218 434 A C 2.031 179.506 177.584 -0.182 0.000 1.203 434 A CA 2.197 54.136 52.037 -0.164 0.000 0.638 434 A CB -0.546 18.262 19.000 -0.321 0.000 0.831 434 A HN 0.174 nan 8.150 nan 0.000 0.450 435 K N -1.724 118.460 120.400 -0.361 0.000 2.103 435 K HA -0.141 4.179 4.320 0.001 0.000 0.207 435 K C 1.804 178.425 176.600 0.035 0.000 1.048 435 K CA 1.559 57.727 56.287 -0.198 0.000 0.930 435 K CB -0.387 31.973 32.500 -0.234 0.000 0.716 435 K HN 0.508 nan 8.250 nan 0.000 0.444 436 F N 2.312 122.239 119.950 -0.038 0.000 2.046 436 F HA -0.244 4.284 4.527 0.001 0.000 0.297 436 F C 2.240 178.126 175.800 0.144 0.000 1.123 436 F CA 1.580 59.655 58.000 0.125 0.000 1.199 436 F CB -0.058 39.009 39.000 0.112 0.000 0.972 436 F HN -0.129 nan 8.300 nan 0.000 0.474 437 R N -0.201 120.483 120.500 0.308 0.000 2.105 437 R HA -0.191 4.149 4.340 0.001 0.000 0.239 437 R C 2.098 178.500 176.300 0.169 0.000 1.135 437 R CA 1.564 57.851 56.100 0.312 0.000 0.967 437 R CB -0.925 29.461 30.300 0.144 0.000 0.861 437 R HN 0.336 nan 8.270 nan 0.000 0.442 438 L N 0.737 121.975 121.223 0.024 0.000 2.141 438 L HA -0.063 4.277 4.340 0.001 0.000 0.209 438 L C 2.240 178.827 176.870 -0.472 0.000 1.094 438 L CA 1.643 56.444 54.840 -0.065 0.000 0.763 438 L CB -0.549 41.543 42.059 0.055 0.000 0.908 438 L HN 0.116 nan 8.230 nan 0.000 0.437 439 A N -1.512 120.870 122.820 -0.730 0.000 1.930 439 A HA -0.104 4.217 4.320 0.001 0.000 0.217 439 A C 2.216 179.582 177.584 -0.365 0.000 1.175 439 A CA 1.733 53.251 52.037 -0.865 0.000 0.627 439 A CB -0.823 17.906 19.000 -0.451 0.000 0.815 439 A HN 0.263 nan 8.150 nan 0.000 0.443 440 V N -0.135 119.566 119.914 -0.355 0.000 2.379 440 V HA -0.203 3.917 4.120 0.001 0.000 0.245 440 V C 2.454 178.384 176.094 -0.273 0.000 1.044 440 V CA 1.684 63.757 62.300 -0.378 0.000 1.036 440 V CB -0.785 30.718 31.823 -0.535 0.000 0.664 440 V HN 0.633 nan 8.190 nan 0.000 0.453 441 L N -0.785 120.359 121.223 -0.132 0.000 2.079 441 L HA -0.215 4.125 4.340 0.001 0.000 0.210 441 L C 2.289 179.221 176.870 0.102 0.000 1.081 441 L CA 2.000 56.820 54.840 -0.034 0.000 0.752 441 L CB -0.286 41.872 42.059 0.166 0.000 0.896 441 L HN 0.392 nan 8.230 nan 0.000 0.433 442 F N 0.133 120.106 119.950 0.038 0.000 2.098 442 F HA -0.260 4.267 4.527 0.001 0.000 0.294 442 F C 2.684 178.638 175.800 0.257 0.000 1.107 442 F CA 1.909 60.058 58.000 0.248 0.000 1.234 442 F CB -0.314 38.832 39.000 0.244 0.000 1.002 442 F HN 0.121 nan 8.300 nan 0.000 0.472 443 Q N -0.129 119.681 119.800 0.016 0.000 2.152 443 Q HA -0.229 4.111 4.340 0.001 0.000 0.206 443 Q C 1.819 177.724 176.000 -0.157 0.000 0.985 443 Q CA 1.718 57.520 55.803 -0.002 0.000 0.863 443 Q CB -0.108 28.665 28.738 0.058 0.000 0.904 443 Q HN 0.376 nan 8.270 nan 0.000 0.422 444 M N -0.029 119.469 119.600 -0.171 0.000 2.618 444 M HA -0.005 4.476 4.480 0.001 0.000 0.240 444 M C 1.252 177.477 176.300 -0.126 0.000 1.123 444 M CA 1.056 56.239 55.300 -0.194 0.000 1.060 444 M CB -0.111 32.323 32.600 -0.277 0.000 1.535 444 M HN 0.308 nan 8.290 nan 0.000 0.507 445 T N -4.942 109.587 114.554 -0.042 0.000 2.986 445 T HA 0.119 4.470 4.350 0.001 0.000 0.264 445 T C 0.291 175.093 174.700 0.170 0.000 0.964 445 T CA -0.356 61.794 62.100 0.084 0.000 0.895 445 T CB 0.013 69.005 68.868 0.206 0.000 1.163 445 T HN 0.101 nan 8.240 nan 0.000 0.517 446 Y N 2.159 122.333 120.300 -0.209 0.000 2.281 446 Y HA 0.567 5.117 4.550 0.001 0.000 0.337 446 Y C 0.164 175.939 175.900 -0.209 0.000 1.304 446 Y CA -2.315 55.567 58.100 -0.363 0.000 1.465 446 Y CB 0.509 38.465 38.460 -0.840 0.000 1.350 446 Y HN 0.170 nan 8.280 nan 0.000 0.575 447 L N 3.634 124.105 121.223 -1.254 0.000 2.433 447 L HA 0.485 4.826 4.340 0.001 0.000 0.275 447 L C 0.163 176.715 176.870 -0.531 0.000 1.128 447 L CA 1.383 55.743 54.840 -0.799 0.000 0.875 447 L CB -0.606 40.954 42.059 -0.831 0.000 1.171 447 L HN 0.846 nan 8.230 nan 0.000 0.463 448 G N 2.690 111.307 108.800 -0.305 0.000 2.325 448 G HA2 0.040 4.001 3.960 0.001 0.000 0.285 448 G HA3 0.040 4.001 3.960 0.001 0.000 0.285 448 G C -0.973 173.819 174.900 -0.179 0.000 1.303 448 G CA -0.446 44.530 45.100 -0.207 0.000 0.970 448 G HN 0.515 nan 8.290 nan 0.000 0.490 449 T N 3.626 118.094 114.554 -0.144 0.000 2.770 449 T HA 0.624 4.974 4.350 0.001 0.000 0.297 449 T C -2.495 172.053 174.700 -0.253 0.000 0.997 449 T CA -0.776 61.226 62.100 -0.164 0.000 0.949 449 T CB 1.910 70.719 68.868 -0.098 0.000 0.941 449 T HN 0.503 nan 8.240 nan 0.000 0.457 450 P HA 0.243 nan 4.420 nan 0.000 0.276 450 P C -0.867 176.282 177.300 -0.252 0.000 1.235 450 P CA -0.668 62.272 63.100 -0.268 0.000 0.772 450 P CB 0.920 32.488 31.700 -0.221 0.000 0.871 451 L N 5.390 126.479 121.223 -0.222 0.000 2.298 451 L HA 0.451 4.791 4.340 0.001 0.000 0.284 451 L C -0.528 176.315 176.870 -0.045 0.000 1.013 451 L CA -0.689 54.039 54.840 -0.187 0.000 0.824 451 L CB 0.639 42.597 42.059 -0.167 0.000 1.221 451 L HN 0.239 nan 8.230 nan 0.000 0.418 452 I N 5.187 125.746 120.570 -0.018 0.000 2.331 452 I HA 0.183 4.353 4.170 0.001 0.000 0.292 452 I C -0.970 175.079 176.117 -0.113 0.000 0.998 452 I CA -0.716 60.599 61.300 0.026 0.000 1.267 452 I CB 0.995 39.066 38.000 0.120 0.000 1.386 452 I HN 0.546 nan 8.210 nan 0.000 0.476 453 Y N 8.520 128.731 120.300 -0.148 0.000 2.365 453 Y HA 0.187 4.737 4.550 0.001 0.000 0.340 453 Y C 0.050 175.780 175.900 -0.283 0.000 1.016 453 Y CA -1.253 56.754 58.100 -0.155 0.000 1.196 453 Y CB 0.235 38.678 38.460 -0.028 0.000 1.167 453 Y HN 0.472 nan 8.280 nan 0.000 0.509 454 Y N 5.151 124.933 120.300 -0.864 0.000 3.036 454 Y HA 0.189 4.739 4.550 0.001 0.000 0.354 454 Y C 1.084 176.794 175.900 -0.317 0.000 1.267 454 Y CA 0.514 58.266 58.100 -0.579 0.000 1.606 454 Y CB -0.159 38.141 38.460 -0.266 0.000 1.164 454 Y HN 0.983 nan 8.280 nan 0.000 0.587 455 G N 2.960 111.680 108.800 -0.133 0.000 2.336 455 G HA2 -0.369 3.591 3.960 0.001 0.000 0.233 455 G HA3 -0.369 3.591 3.960 0.001 0.000 0.233 455 G C 0.825 175.632 174.900 -0.154 0.000 1.053 455 G CA 0.344 45.291 45.100 -0.254 0.000 0.625 455 G HN 0.628 nan 8.290 nan 0.000 0.511 456 D N 1.392 121.738 120.400 -0.090 0.000 2.149 456 D HA -0.074 4.566 4.640 0.001 0.000 0.198 456 D C 2.483 178.828 176.300 0.075 0.000 0.990 456 D CA 1.502 55.576 54.000 0.123 0.000 0.839 456 D CB -0.225 40.776 40.800 0.335 0.000 0.948 456 D HN 0.753 nan 8.370 nan 0.000 0.460 457 E N 1.220 121.307 120.200 -0.189 0.000 2.267 457 E HA -0.185 4.166 4.350 0.001 0.000 0.197 457 E C 1.573 178.164 176.600 -0.015 0.000 0.998 457 E CA 0.869 56.951 56.400 -0.530 0.000 0.830 457 E CB -0.322 29.096 29.700 -0.469 0.000 0.751 457 E HN 0.455 nan 8.360 nan 0.000 0.491 458 I N -4.078 116.510 120.570 0.031 0.000 3.936 458 I HA 0.594 4.764 4.170 0.001 0.000 0.330 458 I C 1.108 177.203 176.117 -0.037 0.000 1.509 458 I CA -0.058 61.265 61.300 0.039 0.000 1.126 458 I CB 1.003 38.990 38.000 -0.020 0.000 1.115 458 I HN 0.058 nan 8.210 nan 0.000 0.424 459 G N 0.803 109.558 108.800 -0.076 0.000 2.144 459 G HA2 -0.228 3.732 3.960 0.001 0.000 0.218 459 G HA3 -0.228 3.732 3.960 0.001 0.000 0.218 459 G C 0.211 175.006 174.900 -0.175 0.000 0.988 459 G CA 0.018 45.019 45.100 -0.165 0.000 0.659 459 G HN 0.353 nan 8.290 nan 0.000 0.522 460 M N 0.703 120.208 119.600 -0.158 0.000 2.252 460 M HA 0.478 4.959 4.480 0.001 0.000 0.333 460 M C 0.720 176.943 176.300 -0.129 0.000 1.111 460 M CA 1.201 56.404 55.300 -0.161 0.000 1.140 460 M CB 0.929 33.400 32.600 -0.216 0.000 1.538 460 M HN 0.665 nan 8.290 nan 0.000 0.448 461 A N 1.315 124.066 122.820 -0.114 0.000 2.485 461 A HA 1.029 5.350 4.320 0.001 0.000 0.292 461 A C -0.422 177.121 177.584 -0.070 0.000 1.147 461 A CA -0.176 51.813 52.037 -0.080 0.000 0.750 461 A CB 1.973 20.919 19.000 -0.089 0.000 1.331 461 A HN 0.965 nan 8.150 nan 0.000 0.419 462 G N -1.692 107.079 108.800 -0.047 0.000 2.358 462 G HA2 0.638 4.598 3.960 0.001 0.000 0.301 462 G HA3 0.638 4.598 3.960 0.001 0.000 0.301 462 G C -0.401 174.479 174.900 -0.033 0.000 1.539 462 G CA 0.218 45.290 45.100 -0.047 0.000 0.893 462 G HN 1.886 nan 8.290 nan 0.000 0.636 463 A N 0.257 123.055 122.820 -0.038 0.000 2.267 463 A HA 0.850 5.171 4.320 0.001 0.000 0.271 463 A C 1.247 178.813 177.584 -0.031 0.000 1.131 463 A CA 0.862 52.880 52.037 -0.032 0.000 0.818 463 A CB 0.250 19.230 19.000 -0.034 0.000 1.118 463 A HN 1.680 nan 8.150 nan 0.000 0.501 464 T N -0.696 113.842 114.554 -0.027 0.000 2.640 464 T HA 0.122 4.473 4.350 0.001 0.000 0.316 464 T C 0.279 174.963 174.700 -0.026 0.000 1.036 464 T CA 0.330 62.412 62.100 -0.030 0.000 1.009 464 T CB -0.079 68.774 68.868 -0.025 0.000 1.017 464 T HN 0.728 nan 8.240 nan 0.000 0.530 465 D N 1.253 121.644 120.400 -0.014 0.000 2.658 465 D HA -0.013 4.627 4.640 0.001 0.000 0.230 465 D C -1.390 174.904 176.300 -0.009 0.000 1.118 465 D CA -1.085 52.927 54.000 0.019 0.000 0.848 465 D CB 0.857 41.700 40.800 0.072 0.000 1.160 465 D HN 0.289 nan 8.370 nan 0.000 0.497 466 P HA 0.097 nan 4.420 nan 0.000 0.268 466 P C 0.393 177.647 177.300 -0.077 0.000 1.329 466 P CA -0.121 62.934 63.100 -0.075 0.000 0.899 466 P CB 0.559 32.173 31.700 -0.143 0.000 1.378 467 D N 0.527 120.878 120.400 -0.080 0.000 2.310 467 D HA -0.121 4.520 4.640 0.001 0.000 0.212 467 D C 1.571 177.837 176.300 -0.057 0.000 0.965 467 D CA 0.827 54.783 54.000 -0.073 0.000 0.879 467 D CB -0.425 40.335 40.800 -0.066 0.000 0.921 467 D HN 0.212 nan 8.370 nan 0.000 0.510 468 C N -0.807 118.475 119.300 -0.031 0.000 2.562 468 C HA 0.313 4.773 4.460 0.001 0.000 0.266 468 C C 1.300 176.325 174.990 0.059 0.000 1.382 468 C CA -0.629 58.398 59.018 0.014 0.000 1.742 468 C CB -1.113 26.634 27.740 0.011 0.000 1.812 468 C HN 0.019 nan 8.230 nan 0.000 0.559 469 R N 1.095 121.591 120.500 -0.008 0.000 3.311 469 R HA 0.308 4.648 4.340 0.001 0.000 0.332 469 R C 0.026 176.291 176.300 -0.059 0.000 1.317 469 R CA -0.142 55.943 56.100 -0.025 0.000 1.192 469 R CB 0.009 30.209 30.300 -0.165 0.000 1.454 469 R HN 0.583 nan 8.270 nan 0.000 0.605 470 R N 1.694 122.133 120.500 -0.101 0.000 2.560 470 R HA 0.208 4.548 4.340 0.001 0.000 0.270 470 R C -2.130 173.965 176.300 -0.342 0.000 1.074 470 R CA -1.705 54.226 56.100 -0.280 0.000 1.140 470 R CB 0.274 30.427 30.300 -0.244 0.000 1.073 470 R HN 0.040 nan 8.270 nan 0.000 0.527 471 P HA -0.040 nan 4.420 nan 0.000 0.271 471 P C -0.517 176.549 177.300 -0.391 0.000 1.220 471 P CA -0.234 62.302 63.100 -0.940 0.000 0.768 471 P CB 0.655 31.227 31.700 -1.881 0.000 0.848 472 M N 4.720 124.297 119.600 -0.039 0.000 2.245 472 M HA 0.023 4.504 4.480 0.001 0.000 0.335 472 M C -0.312 175.822 176.300 -0.277 0.000 1.155 472 M CA 0.710 55.925 55.300 -0.141 0.000 1.055 472 M CB -0.413 31.990 32.600 -0.329 0.000 1.670 472 M HN 0.160 nan 8.290 nan 0.000 0.447 473 I N 6.321 126.636 120.570 -0.425 0.000 2.337 473 I HA 0.008 4.178 4.170 0.001 0.000 0.291 473 I C -0.147 175.676 176.117 -0.490 0.000 1.046 473 I CA 0.378 61.500 61.300 -0.297 0.000 1.324 473 I CB -0.515 37.356 38.000 -0.215 0.000 1.409 473 I HN 0.978 nan 8.210 nan 0.000 0.494 474 W N 2.966 124.222 121.300 -0.074 0.000 2.915 474 W HA 0.174 4.834 4.660 0.001 0.000 0.276 474 W C 1.068 177.493 176.519 -0.157 0.000 1.215 474 W CA -0.321 56.906 57.345 -0.197 0.000 1.514 474 W CB 0.601 29.907 29.460 -0.256 0.000 1.017 474 W HN 0.449 nan 8.180 nan 0.000 0.598 475 E N 2.261 122.522 120.200 0.101 0.000 2.328 475 E HA -0.098 4.252 4.350 0.001 0.000 0.265 475 E C 1.269 177.878 176.600 0.014 0.000 1.057 475 E CA 0.090 56.519 56.400 0.049 0.000 0.916 475 E CB 0.810 30.533 29.700 0.037 0.000 0.993 475 E HN 0.184 nan 8.360 nan 0.000 0.446 476 E N 3.946 124.153 120.200 0.012 0.000 2.147 476 E HA -0.273 4.078 4.350 0.001 0.000 0.199 476 E C 1.075 177.672 176.600 -0.005 0.000 1.005 476 E CA 1.414 57.813 56.400 -0.003 0.000 0.810 476 E CB 0.228 29.931 29.700 0.005 0.000 0.736 476 E HN 0.432 nan 8.360 nan 0.000 0.460 477 K N -0.206 120.194 120.400 0.000 0.000 2.439 477 K HA -0.056 4.264 4.320 0.001 0.000 0.197 477 K C 1.071 177.666 176.600 -0.008 0.000 1.041 477 K CA 0.554 56.841 56.287 -0.000 0.000 0.970 477 K CB 0.293 32.795 32.500 0.003 0.000 0.773 477 K HN 0.103 nan 8.250 nan 0.000 0.479 478 E N 0.409 120.599 120.200 -0.016 0.000 2.481 478 E HA 0.037 4.387 4.350 0.001 0.000 0.198 478 E C -0.131 176.439 176.600 -0.049 0.000 1.027 478 E CA 0.253 56.636 56.400 -0.029 0.000 0.900 478 E CB 0.564 30.248 29.700 -0.027 0.000 0.993 478 E HN 0.360 nan 8.360 nan 0.000 0.482 479 Q N 0.834 120.607 119.800 -0.046 0.000 2.235 479 Q HA 0.251 4.592 4.340 0.001 0.000 0.256 479 Q C 0.037 176.027 176.000 -0.017 0.000 0.951 479 Q CA -0.562 55.208 55.803 -0.056 0.000 0.890 479 Q CB 1.135 29.825 28.738 -0.080 0.000 1.279 479 Q HN -0.142 nan 8.270 nan 0.000 0.444 480 N N 2.018 120.717 118.700 -0.001 0.000 2.868 480 N HA 0.026 4.766 4.740 0.001 0.000 0.252 480 N C 0.253 175.831 175.510 0.113 0.000 1.130 480 N CA 0.006 53.079 53.050 0.039 0.000 1.026 480 N CB 0.350 38.851 38.487 0.023 0.000 1.335 480 N HN 0.448 nan 8.380 nan 0.000 0.516 481 R N 1.362 121.928 120.500 0.111 0.000 2.193 481 R HA -0.041 4.299 4.340 0.001 0.000 0.229 481 R C 1.712 178.164 176.300 0.253 0.000 1.110 481 R CA 0.822 57.039 56.100 0.195 0.000 0.988 481 R CB -0.848 29.537 30.300 0.142 0.000 0.871 481 R HN 0.514 nan 8.270 nan 0.000 0.458 482 G N 1.066 109.972 108.800 0.176 0.000 2.418 482 G HA2 -0.218 3.742 3.960 0.001 0.000 0.217 482 G HA3 -0.218 3.742 3.960 0.001 0.000 0.217 482 G C 1.572 176.620 174.900 0.246 0.000 1.158 482 G CA 0.168 45.368 45.100 0.166 0.000 0.771 482 G HN 0.219 nan 8.290 nan 0.000 0.545 483 L N -0.818 120.573 121.223 0.279 0.000 2.027 483 L HA 0.042 4.383 4.340 0.001 0.000 0.206 483 L C 2.571 179.763 176.870 0.536 0.000 1.074 483 L CA 1.145 56.244 54.840 0.432 0.000 0.745 483 L CB -0.317 41.965 42.059 0.371 0.000 0.898 483 L HN 0.313 nan 8.230 nan 0.000 0.433 484 F N 0.805 120.901 119.950 0.243 0.000 2.087 484 F HA -0.343 4.185 4.527 0.001 0.000 0.299 484 F C 2.572 178.502 175.800 0.217 0.000 1.100 484 F CA 1.743 59.852 58.000 0.182 0.000 1.226 484 F CB 0.060 39.140 39.000 0.133 0.000 0.983 484 F HN 0.119 nan 8.300 nan 0.000 0.479 485 E N -0.012 120.334 120.200 0.244 0.000 2.106 485 E HA -0.233 4.117 4.350 0.001 0.000 0.192 485 E C 2.082 178.786 176.600 0.175 0.000 0.984 485 E CA 1.246 57.717 56.400 0.117 0.000 0.806 485 E CB -0.862 28.945 29.700 0.178 0.000 0.750 485 E HN 0.593 nan 8.360 nan 0.000 0.458 486 F N 0.238 120.258 119.950 0.116 0.000 2.075 486 F HA -0.309 4.218 4.527 0.001 0.000 0.297 486 F C 2.197 178.038 175.800 0.068 0.000 1.113 486 F CA 1.195 59.254 58.000 0.098 0.000 1.218 486 F CB -0.147 38.942 39.000 0.148 0.000 0.984 486 F HN -0.025 nan 8.300 nan 0.000 0.472 487 Y N 1.089 121.350 120.300 -0.064 0.000 2.128 487 Y HA -0.274 4.276 4.550 0.001 0.000 0.284 487 Y C 2.430 178.178 175.900 -0.253 0.000 1.154 487 Y CA 2.100 60.078 58.100 -0.202 0.000 1.149 487 Y CB -0.649 37.766 38.460 -0.075 0.000 0.976 487 Y HN -0.023 nan 8.280 nan 0.000 0.505 488 K N -0.125 120.208 120.400 -0.111 0.000 2.044 488 K HA -0.286 4.034 4.320 0.001 0.000 0.210 488 K C 2.123 178.646 176.600 -0.128 0.000 1.049 488 K CA 1.984 58.156 56.287 -0.193 0.000 0.927 488 K CB -0.279 32.040 32.500 -0.301 0.000 0.713 488 K HN 0.375 nan 8.250 nan 0.000 0.443 489 E N 0.897 121.039 120.200 -0.097 0.000 2.051 489 E HA -0.186 4.165 4.350 0.001 0.000 0.192 489 E C 2.053 178.569 176.600 -0.141 0.000 0.991 489 E CA 0.968 57.322 56.400 -0.077 0.000 0.799 489 E CB 0.013 29.711 29.700 -0.003 0.000 0.748 489 E HN 0.207 nan 8.360 nan 0.000 0.449 490 L N 0.631 121.703 121.223 -0.252 0.000 2.046 490 L HA -0.200 4.141 4.340 0.001 0.000 0.208 490 L C 2.525 179.241 176.870 -0.256 0.000 1.077 490 L CA 0.933 55.596 54.840 -0.296 0.000 0.747 490 L CB -0.335 41.433 42.059 -0.484 0.000 0.896 490 L HN 0.257 nan 8.230 nan 0.000 0.432 491 I N -0.661 119.762 120.570 -0.244 0.000 2.361 491 I HA -0.289 3.882 4.170 0.001 0.000 0.251 491 I C 2.718 178.677 176.117 -0.263 0.000 1.133 491 I CA 1.192 62.328 61.300 -0.274 0.000 1.413 491 I CB -0.301 37.603 38.000 -0.160 0.000 1.073 491 I HN 0.234 nan 8.210 nan 0.000 0.424 492 R N 0.391 120.821 120.500 -0.117 0.000 2.073 492 R HA -0.055 4.285 4.340 0.001 0.000 0.229 492 R C 2.349 178.607 176.300 -0.070 0.000 1.120 492 R CA 1.036 57.120 56.100 -0.027 0.000 0.967 492 R CB -0.257 30.027 30.300 -0.026 0.000 0.862 492 R HN 0.338 nan 8.270 nan 0.000 0.436 493 L N 0.231 121.383 121.223 -0.120 0.000 1.989 493 L HA -0.211 4.129 4.340 0.001 0.000 0.211 493 L C 2.816 179.598 176.870 -0.146 0.000 1.071 493 L CA 1.455 56.217 54.840 -0.131 0.000 0.749 493 L CB -0.444 41.541 42.059 -0.123 0.000 0.890 493 L HN 0.190 nan 8.230 nan 0.000 0.431 494 R N -0.874 119.509 120.500 -0.195 0.000 2.096 494 R HA -0.208 4.133 4.340 0.001 0.000 0.240 494 R C 2.439 178.648 176.300 -0.152 0.000 1.139 494 R CA 1.637 57.612 56.100 -0.209 0.000 0.952 494 R CB -0.233 29.885 30.300 -0.304 0.000 0.854 494 R HN 0.427 nan 8.270 nan 0.000 0.436 495 H N -0.598 118.421 119.070 -0.085 0.000 2.421 495 H HA -0.094 4.462 4.556 0.001 0.000 0.298 495 H C 2.031 177.307 175.328 -0.086 0.000 1.087 495 H CA 1.399 57.404 56.048 -0.073 0.000 1.330 495 H CB -0.085 29.639 29.762 -0.065 0.000 1.388 495 H HN 0.254 nan 8.280 nan 0.000 0.526 496 R N 0.293 120.793 120.500 -0.000 0.000 2.161 496 R HA 0.085 4.426 4.340 0.001 0.000 0.213 496 R C 0.123 176.330 176.300 -0.156 0.000 1.055 496 R CA 0.131 56.180 56.100 -0.085 0.000 0.996 496 R CB 0.233 30.456 30.300 -0.129 0.000 0.901 496 R HN 0.084 nan 8.270 nan 0.000 0.456 497 L N 1.186 122.311 121.223 -0.163 0.000 2.259 497 L HA 0.311 4.652 4.340 0.001 0.000 0.288 497 L C 1.122 177.942 176.870 -0.084 0.000 1.051 497 L CA -0.549 54.180 54.840 -0.184 0.000 0.824 497 L CB 1.697 43.630 42.059 -0.209 0.000 1.206 497 L HN 0.144 nan 8.230 nan 0.000 0.429 498 A N 2.030 124.818 122.820 -0.053 0.000 2.032 498 A HA -0.199 4.122 4.320 0.001 0.000 0.221 498 A C 2.419 180.001 177.584 -0.003 0.000 1.165 498 A CA 2.120 54.147 52.037 -0.016 0.000 0.645 498 A CB -0.236 18.766 19.000 0.003 0.000 0.807 498 A HN 0.734 nan 8.150 nan 0.000 0.453 499 S N -0.351 115.357 115.700 0.013 0.000 2.359 499 S HA -0.122 4.349 4.470 0.001 0.000 0.224 499 S C 1.864 176.471 174.600 0.012 0.000 1.035 499 S CA 1.525 59.749 58.200 0.039 0.000 1.018 499 S CB -0.470 62.782 63.200 0.087 0.000 0.876 499 S HN 0.545 nan 8.310 nan 0.000 0.448 500 L N 0.893 122.112 121.223 -0.008 0.000 2.191 500 L HA -0.070 4.270 4.340 0.001 0.000 0.212 500 L C 2.647 179.485 176.870 -0.054 0.000 1.103 500 L CA 1.673 56.499 54.840 -0.024 0.000 0.769 500 L CB -0.891 41.139 42.059 -0.048 0.000 0.908 500 L HN 0.565 nan 8.230 nan 0.000 0.438 501 T N -4.455 110.070 114.554 -0.048 0.000 2.990 501 T HA 0.097 4.448 4.350 0.001 0.000 0.249 501 T C 1.700 176.367 174.700 -0.055 0.000 1.039 501 T CA -0.169 61.898 62.100 -0.055 0.000 1.036 501 T CB 0.283 69.134 68.868 -0.028 0.000 0.994 501 T HN 0.208 nan 8.240 nan 0.000 0.489 502 R N 0.294 120.770 120.500 -0.040 0.000 2.541 502 R HA 0.416 4.757 4.340 0.001 0.000 0.332 502 R C 1.172 177.451 176.300 -0.034 0.000 0.951 502 R CA -0.116 55.960 56.100 -0.040 0.000 1.136 502 R CB 0.999 31.285 30.300 -0.024 0.000 1.449 502 R HN 0.401 nan 8.270 nan 0.000 0.531 503 G N 0.710 109.495 108.800 -0.025 0.000 2.588 503 G HA2 0.117 4.077 3.960 0.001 0.000 0.281 503 G HA3 0.117 4.077 3.960 0.001 0.000 0.281 503 G C -0.403 174.474 174.900 -0.037 0.000 1.236 503 G CA -0.660 44.434 45.100 -0.010 0.000 0.969 503 G HN 0.346 nan 8.290 nan 0.000 0.504 504 N N -2.670 116.016 118.700 -0.023 0.000 2.563 504 N HA 0.603 5.344 4.740 0.001 0.000 0.288 504 N C -1.056 174.439 175.510 -0.024 0.000 1.246 504 N CA -0.882 52.142 53.050 -0.043 0.000 0.946 504 N CB 1.997 40.466 38.487 -0.030 0.000 1.213 504 N HN 0.287 nan 8.380 nan 0.000 0.578 505 V N -0.349 119.547 119.914 -0.031 0.000 2.715 505 V HA 0.617 4.738 4.120 0.001 0.000 0.310 505 V C -0.402 175.732 176.094 0.066 0.000 1.054 505 V CA -0.859 61.465 62.300 0.039 0.000 0.928 505 V CB 1.432 33.251 31.823 -0.008 0.000 1.007 505 V HN 0.708 nan 8.190 nan 0.000 0.437 506 R N 1.427 122.006 120.500 0.131 0.000 2.522 506 R HA 0.451 4.792 4.340 0.001 0.000 0.283 506 R C -0.738 175.674 176.300 0.186 0.000 1.074 506 R CA -0.556 55.609 56.100 0.107 0.000 0.925 506 R CB 2.071 32.388 30.300 0.029 0.000 1.205 506 R HN 0.766 nan 8.270 nan 0.000 0.436 507 S N 1.427 117.240 115.700 0.189 0.000 2.568 507 S HA 0.029 4.499 4.470 0.001 0.000 0.282 507 S C 0.341 175.071 174.600 0.216 0.000 1.338 507 S CA -0.072 58.250 58.200 0.203 0.000 1.045 507 S CB 0.581 63.886 63.200 0.175 0.000 0.873 507 S HN 0.703 nan 8.310 nan 0.000 0.516 508 W N 2.309 123.570 121.300 -0.065 0.000 3.097 508 W HA 0.331 4.991 4.660 0.001 0.000 0.245 508 W C 0.219 176.740 176.519 0.002 0.000 1.120 508 W CA 0.404 57.715 57.345 -0.057 0.000 1.468 508 W CB 0.006 29.403 29.460 -0.105 0.000 0.851 508 W HN 0.800 nan 8.180 nan 0.000 0.692 509 H N -0.300 118.675 119.070 -0.158 0.000 3.121 509 H HA 0.532 5.088 4.556 0.001 0.000 0.337 509 H C -1.502 173.723 175.328 -0.171 0.000 1.198 509 H CA -0.052 55.853 56.048 -0.238 0.000 1.274 509 H CB 1.467 30.952 29.762 -0.462 0.000 1.954 509 H HN -0.039 nan 8.280 nan 0.000 0.531 510 A N 4.291 126.766 122.820 -0.575 0.000 2.741 510 A HA 0.251 4.571 4.320 0.001 0.000 0.298 510 A C -1.528 175.868 177.584 -0.314 0.000 1.153 510 A CA -0.597 51.315 52.037 -0.209 0.000 0.816 510 A CB 0.529 19.576 19.000 0.078 0.000 1.396 510 A HN 0.623 nan 8.150 nan 0.000 0.407 511 D N 2.799 123.033 120.400 -0.277 0.000 2.317 511 D HA 0.165 4.806 4.640 0.001 0.000 0.234 511 D C 1.082 177.335 176.300 -0.079 0.000 1.112 511 D CA -0.263 53.638 54.000 -0.164 0.000 0.840 511 D CB 1.214 42.000 40.800 -0.022 0.000 1.078 511 D HN 0.625 nan 8.370 nan 0.000 0.486 512 K N 2.748 123.054 120.400 -0.156 0.000 2.365 512 K HA -0.130 4.191 4.320 0.001 0.000 0.199 512 K C 1.425 177.913 176.600 -0.186 0.000 1.045 512 K CA 0.660 56.785 56.287 -0.271 0.000 0.962 512 K CB 0.295 32.338 32.500 -0.762 0.000 0.759 512 K HN 0.150 nan 8.250 nan 0.000 0.469 513 Q N 1.211 120.936 119.800 -0.125 0.000 2.008 513 Q HA 0.120 4.461 4.340 0.001 0.000 0.196 513 Q C 2.147 178.121 176.000 -0.044 0.000 0.973 513 Q CA 1.990 57.745 55.803 -0.080 0.000 0.826 513 Q CB -0.321 28.377 28.738 -0.067 0.000 0.894 513 Q HN 0.437 nan 8.270 nan 0.000 0.439 514 A N 0.054 122.859 122.820 -0.026 0.000 2.014 514 A HA -0.034 4.286 4.320 0.001 0.000 0.218 514 A C 0.726 178.305 177.584 -0.009 0.000 1.163 514 A CA 1.109 53.136 52.037 -0.017 0.000 0.652 514 A CB -0.279 18.722 19.000 0.001 0.000 0.808 514 A HN 0.605 nan 8.150 nan 0.000 0.449 515 N N -2.316 116.401 118.700 0.027 0.000 2.862 515 N HA -0.129 4.612 4.740 0.001 0.000 0.246 515 N C -0.553 175.040 175.510 0.138 0.000 1.111 515 N CA 0.779 53.882 53.050 0.089 0.000 0.688 515 N CB -1.931 36.568 38.487 0.019 0.000 1.018 515 N HN 0.547 nan 8.380 nan 0.000 0.556 516 L N 1.185 122.496 121.223 0.147 0.000 2.307 516 L HA 0.635 4.976 4.340 0.001 0.000 0.284 516 L C -0.735 176.303 176.870 0.279 0.000 1.023 516 L CA -0.939 54.014 54.840 0.187 0.000 0.810 516 L CB 0.820 42.952 42.059 0.121 0.000 1.231 516 L HN 0.233 nan 8.230 nan 0.000 0.423 517 Y N 4.733 125.155 120.300 0.203 0.000 2.477 517 Y HA 0.783 5.334 4.550 0.001 0.000 0.347 517 Y C -0.985 175.085 175.900 0.282 0.000 0.981 517 Y CA -0.514 57.712 58.100 0.209 0.000 1.033 517 Y CB 1.956 40.526 38.460 0.184 0.000 1.245 517 Y HN 0.697 nan 8.280 nan 0.000 0.455 518 A N 5.476 127.967 122.820 -0.548 0.000 2.520 518 A HA 0.758 5.078 4.320 0.001 0.000 0.298 518 A C -1.947 175.569 177.584 -0.114 0.000 1.051 518 A CA -0.520 51.406 52.037 -0.184 0.000 0.690 518 A CB 0.796 19.685 19.000 -0.185 0.000 1.281 518 A HN 0.863 nan 8.150 nan 0.000 0.402 519 F N -0.378 119.639 119.950 0.111 0.000 2.706 519 F HA 0.925 5.452 4.527 0.001 0.000 0.328 519 F C -0.960 174.948 175.800 0.180 0.000 1.123 519 F CA -1.627 56.477 58.000 0.174 0.000 0.978 519 F CB 1.285 40.460 39.000 0.292 0.000 1.404 519 F HN 0.382 nan 8.300 nan 0.000 0.497 520 V N 1.930 121.945 119.914 0.168 0.000 2.668 520 V HA 0.509 4.629 4.120 0.001 0.000 0.304 520 V C -0.822 175.302 176.094 0.051 0.000 1.071 520 V CA -0.790 61.449 62.300 -0.101 0.000 0.894 520 V CB 1.916 33.505 31.823 -0.391 0.000 1.008 520 V HN 0.712 nan 8.190 nan 0.000 0.425 521 R N 2.243 122.777 120.500 0.057 0.000 2.486 521 R HA 0.831 5.171 4.340 0.001 0.000 0.286 521 R C -0.588 175.741 176.300 0.048 0.000 0.999 521 R CA -0.461 55.690 56.100 0.084 0.000 0.993 521 R CB 1.820 32.187 30.300 0.113 0.000 1.084 521 R HN 0.709 nan 8.270 nan 0.000 0.487 522 T N 0.613 115.200 114.554 0.055 0.000 3.032 522 T HA 0.315 4.666 4.350 0.001 0.000 0.312 522 T C -1.397 173.360 174.700 0.096 0.000 1.078 522 T CA -0.531 61.643 62.100 0.124 0.000 1.028 522 T CB 2.103 71.035 68.868 0.107 0.000 1.091 522 T HN 0.279 nan 8.240 nan 0.000 0.457 523 V N 4.804 124.784 119.914 0.111 0.000 2.686 523 V HA 0.497 4.617 4.120 0.001 0.000 0.306 523 V C -0.050 176.084 176.094 0.067 0.000 1.065 523 V CA -0.166 62.174 62.300 0.066 0.000 0.894 523 V CB 1.548 33.397 31.823 0.043 0.000 1.004 523 V HN 0.950 nan 8.190 nan 0.000 0.424 524 Q N 3.701 123.529 119.800 0.047 0.000 2.049 524 Q HA -0.260 4.080 4.340 0.001 0.000 0.409 524 Q C 0.504 176.516 176.000 0.021 0.000 0.726 524 Q CA 2.470 58.292 55.803 0.031 0.000 0.896 524 Q CB -0.968 27.783 28.738 0.022 0.000 3.134 524 Q HN 0.966 nan 8.270 nan 0.000 0.836 525 D N 1.079 121.470 120.400 -0.015 0.000 2.349 525 D HA 0.074 4.714 4.640 0.001 0.000 0.214 525 D C 0.462 176.655 176.300 -0.177 0.000 1.063 525 D CA 0.267 54.205 54.000 -0.103 0.000 0.847 525 D CB 0.143 40.887 40.800 -0.094 0.000 0.933 525 D HN 0.227 nan 8.370 nan 0.000 0.513 526 Q N 0.597 120.385 119.800 -0.020 0.000 2.259 526 Q HA 0.213 4.554 4.340 0.001 0.000 0.249 526 Q C -0.869 175.249 176.000 0.197 0.000 0.914 526 Q CA -0.116 55.734 55.803 0.079 0.000 0.904 526 Q CB 0.750 29.608 28.738 0.200 0.000 1.213 526 Q HN 0.252 nan 8.270 nan 0.000 0.428 527 H N 1.263 120.418 119.070 0.142 0.000 2.759 527 H HA 0.523 5.080 4.556 0.001 0.000 0.354 527 H C -1.400 174.028 175.328 0.168 0.000 1.074 527 H CA -1.110 54.996 56.048 0.096 0.000 1.226 527 H CB 2.115 31.911 29.762 0.056 0.000 1.648 527 H HN 0.339 nan 8.280 nan 0.000 0.529 528 V N 2.539 122.568 119.914 0.192 0.000 2.524 528 V HA 0.419 4.539 4.120 0.001 0.000 0.297 528 V C 0.141 176.190 176.094 -0.076 0.000 1.035 528 V CA -0.775 61.606 62.300 0.135 0.000 0.867 528 V CB 1.756 33.657 31.823 0.130 0.000 1.004 528 V HN 0.948 nan 8.190 nan 0.000 0.426 529 G N 3.358 112.061 108.800 -0.161 0.000 2.370 529 G HA2 0.581 4.542 3.960 0.001 0.000 0.317 529 G HA3 0.581 4.542 3.960 0.001 0.000 0.317 529 G C -0.900 173.945 174.900 -0.091 0.000 1.162 529 G CA -0.439 44.485 45.100 -0.293 0.000 0.922 529 G HN 0.513 nan 8.290 nan 0.000 0.454 530 V N 3.262 122.996 119.914 -0.299 0.000 2.370 530 V HA 0.349 4.470 4.120 0.001 0.000 0.279 530 V C -0.020 176.045 176.094 -0.049 0.000 1.029 530 V CA -0.474 61.672 62.300 -0.255 0.000 0.870 530 V CB 1.416 32.867 31.823 -0.620 0.000 0.984 530 V HN 0.511 nan 8.190 nan 0.000 0.451 531 V N 7.007 126.960 119.914 0.066 0.000 2.459 531 V HA 0.546 4.666 4.120 0.001 0.000 0.295 531 V C -0.335 175.847 176.094 0.146 0.000 1.029 531 V CA -0.582 61.743 62.300 0.042 0.000 0.874 531 V CB 1.718 33.499 31.823 -0.069 0.000 0.985 531 V HN 0.645 nan 8.190 nan 0.000 0.438 532 L N 3.901 125.255 121.223 0.219 0.000 2.372 532 L HA 0.507 4.847 4.340 0.001 0.000 0.273 532 L C -0.192 176.807 176.870 0.215 0.000 0.989 532 L CA -0.493 54.526 54.840 0.299 0.000 0.841 532 L CB 1.621 43.995 42.059 0.525 0.000 1.225 532 L HN 0.603 nan 8.230 nan 0.000 0.414 533 N N 2.062 120.838 118.700 0.127 0.000 2.868 533 N HA 0.010 4.751 4.740 0.001 0.000 0.252 533 N C 0.176 175.673 175.510 -0.021 0.000 1.130 533 N CA -0.127 52.942 53.050 0.032 0.000 1.026 533 N CB 0.228 38.701 38.487 -0.024 0.000 1.335 533 N HN 0.450 nan 8.380 nan 0.000 0.516 534 N N 2.307 121.011 118.700 0.005 0.000 3.115 534 N HA 0.063 4.803 4.740 0.001 0.000 0.305 534 N C -0.837 174.501 175.510 -0.287 0.000 1.305 534 N CA 0.089 53.078 53.050 -0.101 0.000 1.154 534 N CB -0.316 37.961 38.487 -0.350 0.000 1.454 534 N HN 0.497 nan 8.380 nan 0.000 0.551 535 R N -1.505 118.690 120.500 -0.508 0.000 2.771 535 R HA 0.435 4.776 4.340 0.001 0.000 0.274 535 R C 0.675 176.381 176.300 -0.990 0.000 0.987 535 R CA -0.772 54.995 56.100 -0.556 0.000 0.908 535 R CB 0.927 31.062 30.300 -0.273 0.000 1.213 535 R HN 0.208 nan 8.270 nan 0.000 0.468 536 G N 1.268 109.686 108.800 -0.637 0.000 2.990 536 G HA2 -0.007 3.954 3.960 0.001 0.000 0.206 536 G HA3 -0.007 3.954 3.960 0.001 0.000 0.206 536 G C -0.079 174.709 174.900 -0.188 0.000 1.169 536 G CA 0.423 45.307 45.100 -0.361 0.000 0.819 536 G HN 0.481 nan 8.290 nan 0.000 0.517 537 E N -0.673 119.397 120.200 -0.217 0.000 2.378 537 E HA 0.292 4.642 4.350 0.001 0.000 0.265 537 E C -0.817 175.714 176.600 -0.114 0.000 0.932 537 E CA -0.930 55.398 56.400 -0.119 0.000 0.795 537 E CB 1.927 31.576 29.700 -0.085 0.000 1.296 537 E HN 0.012 nan 8.360 nan 0.000 0.438 538 K N 1.516 121.875 120.400 -0.069 0.000 2.298 538 K HA 0.131 4.452 4.320 0.001 0.000 0.280 538 K C -0.560 176.006 176.600 -0.057 0.000 1.032 538 K CA 0.351 56.605 56.287 -0.055 0.000 0.958 538 K CB 0.670 33.150 32.500 -0.033 0.000 0.978 538 K HN 0.368 nan 8.250 nan 0.000 0.472 539 Q N 1.215 120.981 119.800 -0.057 0.000 2.501 539 Q HA 0.339 4.680 4.340 0.001 0.000 0.288 539 Q C -1.433 174.534 176.000 -0.055 0.000 1.051 539 Q CA -0.992 54.778 55.803 -0.055 0.000 0.788 539 Q CB 2.769 31.470 28.738 -0.062 0.000 1.469 539 Q HN 0.544 nan 8.270 nan 0.000 0.416 540 T N 1.042 115.561 114.554 -0.057 0.000 2.841 540 T HA 0.595 4.945 4.350 0.001 0.000 0.285 540 T C -0.756 173.887 174.700 -0.095 0.000 0.991 540 T CA -0.554 61.505 62.100 -0.067 0.000 0.966 540 T CB 1.110 69.948 68.868 -0.051 0.000 0.962 540 T HN 0.395 nan 8.240 nan 0.000 0.438 541 V N 1.636 121.465 119.914 -0.142 0.000 3.001 541 V HA 0.775 4.896 4.120 0.001 0.000 0.314 541 V C -0.961 174.986 176.094 -0.244 0.000 1.099 541 V CA -1.251 60.913 62.300 -0.228 0.000 0.989 541 V CB 2.023 33.627 31.823 -0.364 0.000 1.040 541 V HN 0.759 nan 8.190 nan 0.000 0.434 542 L N 2.867 123.916 121.223 -0.291 0.000 2.377 542 L HA 0.555 4.896 4.340 0.001 0.000 0.270 542 L C -0.888 175.782 176.870 -0.334 0.000 0.991 542 L CA -0.157 54.547 54.840 -0.228 0.000 0.851 542 L CB 1.547 43.533 42.059 -0.121 0.000 1.218 542 L HN 0.527 nan 8.230 nan 0.000 0.420 543 L N 3.672 124.675 121.223 -0.367 0.000 2.289 543 L HA 0.399 4.739 4.340 0.001 0.000 0.285 543 L C -0.093 176.734 176.870 -0.072 0.000 1.049 543 L CA -0.974 53.609 54.840 -0.429 0.000 0.804 543 L CB 1.251 42.786 42.059 -0.873 0.000 1.195 543 L HN 0.476 nan 8.230 nan 0.000 0.428 544 Q N 3.900 123.722 119.800 0.038 0.000 2.263 544 Q HA 0.163 4.503 4.340 0.001 0.000 0.270 544 Q C -0.207 175.953 176.000 0.268 0.000 1.104 544 Q CA -0.029 55.861 55.803 0.145 0.000 0.909 544 Q CB 0.912 29.730 28.738 0.135 0.000 1.214 544 Q HN 0.520 nan 8.270 nan 0.000 0.400 545 V N 0.489 120.535 119.914 0.221 0.000 2.383 545 V HA 0.327 4.448 4.120 0.001 0.000 0.261 545 V C -2.354 173.898 176.094 0.262 0.000 0.987 545 V CA -2.185 60.261 62.300 0.244 0.000 0.853 545 V CB 0.836 32.788 31.823 0.215 0.000 1.095 545 V HN 0.455 nan 8.190 nan 0.000 0.461 546 P HA 0.032 nan 4.420 nan 0.000 0.264 546 P C 0.537 177.942 177.300 0.175 0.000 1.179 546 P CA 0.461 63.652 63.100 0.152 0.000 0.763 546 P CB 1.011 32.778 31.700 0.111 0.000 0.806 547 E N 0.764 121.040 120.200 0.126 0.000 2.526 547 E HA -0.041 4.309 4.350 0.001 0.000 0.198 547 E C 1.423 178.047 176.600 0.040 0.000 1.091 547 E CA 0.272 56.719 56.400 0.078 0.000 0.880 547 E CB -0.160 29.562 29.700 0.036 0.000 0.873 547 E HN 0.412 nan 8.360 nan 0.000 0.527 548 S N 0.133 115.871 115.700 0.063 0.000 2.406 548 S HA -0.066 4.404 4.470 0.001 0.000 0.228 548 S C 1.768 176.395 174.600 0.044 0.000 1.020 548 S CA 0.950 59.175 58.200 0.043 0.000 0.965 548 S CB 0.180 63.414 63.200 0.056 0.000 0.798 548 S HN 0.414 nan 8.310 nan 0.000 0.488 549 G N 0.647 109.513 108.800 0.110 0.000 3.609 549 G HA2 0.509 4.469 3.960 0.001 0.000 0.280 549 G HA3 0.509 4.469 3.960 0.001 0.000 0.280 549 G C 0.393 175.342 174.900 0.080 0.000 1.155 549 G CA 0.015 45.208 45.100 0.155 0.000 0.876 549 G HN 0.729 nan 8.290 nan 0.000 0.535 550 G N 0.510 109.276 108.800 -0.058 0.000 2.697 550 G HA2 -0.053 3.908 3.960 0.001 0.000 0.686 550 G HA3 -0.053 3.908 3.960 0.001 0.000 0.686 550 G C 0.231 174.880 174.900 -0.419 0.000 1.179 550 G CA -0.163 44.766 45.100 -0.285 0.000 0.765 550 G HN 0.760 nan 8.290 nan 0.000 0.649 551 K N -0.824 119.257 120.400 -0.533 0.000 2.414 551 K HA 0.456 4.777 4.320 0.001 0.000 0.204 551 K C 0.234 176.402 176.600 -0.720 0.000 1.026 551 K CA 0.385 56.389 56.287 -0.472 0.000 1.108 551 K CB 0.799 33.205 32.500 -0.157 0.000 0.855 551 K HN 0.580 nan 8.250 nan 0.000 0.517 552 T N 0.701 114.553 114.554 -1.169 0.000 2.993 552 T HA 0.411 4.761 4.350 0.001 0.000 0.312 552 T C -1.501 172.542 174.700 -1.095 0.000 1.115 552 T CA -0.729 60.882 62.100 -0.815 0.000 1.027 552 T CB 1.246 69.926 68.868 -0.314 0.000 1.116 552 T HN 0.175 nan 8.240 nan 0.000 0.464 553 W N 1.741 122.972 121.300 -0.114 0.000 3.031 553 W HA 0.704 5.364 4.660 0.001 0.000 0.337 553 W C -1.406 175.067 176.519 -0.077 0.000 1.187 553 W CA -0.948 56.340 57.345 -0.094 0.000 1.166 553 W CB 2.075 31.520 29.460 -0.025 0.000 1.437 553 W HN 0.398 nan 8.180 nan 0.000 0.551 554 L N 2.505 123.858 121.223 0.216 0.000 2.349 554 L HA 0.288 4.628 4.340 0.001 0.000 0.278 554 L C -0.286 176.718 176.870 0.224 0.000 0.996 554 L CA -0.263 54.684 54.840 0.179 0.000 0.825 554 L CB 1.002 43.169 42.059 0.180 0.000 1.243 554 L HN 0.245 nan 8.230 nan 0.000 0.412 555 D N 3.525 124.023 120.400 0.162 0.000 2.348 555 D HA 0.004 4.645 4.640 0.001 0.000 0.259 555 D C 1.042 177.426 176.300 0.140 0.000 1.296 555 D CA 0.178 54.264 54.000 0.143 0.000 0.931 555 D CB 0.717 41.581 40.800 0.107 0.000 1.067 555 D HN 0.702 nan 8.370 nan 0.000 0.503 556 C N 3.575 122.964 119.300 0.149 0.000 2.410 556 C HA -0.117 4.343 4.460 0.001 0.000 0.281 556 C C 2.580 177.620 174.990 0.083 0.000 1.318 556 C CA 0.302 59.387 59.018 0.112 0.000 1.776 556 C CB -0.855 26.929 27.740 0.073 0.000 1.942 556 C HN 0.691 nan 8.230 nan 0.000 0.508 557 L N 0.179 121.458 121.223 0.093 0.000 2.162 557 L HA -0.024 4.317 4.340 0.001 0.000 0.205 557 L C 2.705 179.631 176.870 0.094 0.000 1.086 557 L CA 1.925 56.825 54.840 0.100 0.000 0.778 557 L CB -0.651 41.487 42.059 0.131 0.000 0.928 557 L HN 0.488 nan 8.230 nan 0.000 0.446 558 T N -4.980 109.628 114.554 0.090 0.000 2.990 558 T HA 0.242 4.592 4.350 0.001 0.000 0.249 558 T C 1.463 176.207 174.700 0.074 0.000 1.039 558 T CA 0.594 62.740 62.100 0.077 0.000 1.036 558 T CB 0.866 69.776 68.868 0.071 0.000 0.994 558 T HN 0.355 nan 8.240 nan 0.000 0.489 559 G N 1.511 110.362 108.800 0.084 0.000 2.157 559 G HA2 -0.250 3.710 3.960 0.001 0.000 0.248 559 G HA3 -0.250 3.710 3.960 0.001 0.000 0.248 559 G C -0.181 174.764 174.900 0.075 0.000 0.979 559 G CA 0.265 45.416 45.100 0.085 0.000 0.650 559 G HN 0.907 nan 8.290 nan 0.000 0.529 560 E N 0.573 120.814 120.200 0.070 0.000 2.373 560 E HA 0.408 4.759 4.350 0.001 0.000 0.267 560 E C 0.026 176.651 176.600 0.043 0.000 1.032 560 E CA -0.291 56.141 56.400 0.054 0.000 0.889 560 E CB 0.436 30.167 29.700 0.052 0.000 0.984 560 E HN 0.422 nan 8.360 nan 0.000 0.425 561 E N 3.126 123.333 120.200 0.011 0.000 2.175 561 E HA 0.332 4.683 4.350 0.001 0.000 0.278 561 E C -1.060 175.425 176.600 -0.192 0.000 0.969 561 E CA -0.877 55.479 56.400 -0.073 0.000 0.796 561 E CB 1.423 31.094 29.700 -0.048 0.000 1.104 561 E HN 0.371 nan 8.360 nan 0.000 0.395 562 V N 1.634 121.394 119.914 -0.256 0.000 2.769 562 V HA 0.622 4.742 4.120 0.001 0.000 0.312 562 V C -0.854 175.009 176.094 -0.385 0.000 1.061 562 V CA -0.729 61.449 62.300 -0.203 0.000 0.931 562 V CB 1.838 33.714 31.823 0.087 0.000 1.010 562 V HN 0.695 nan 8.190 nan 0.000 0.433 563 H N 1.696 120.887 119.070 0.202 0.000 2.821 563 H HA 0.703 5.260 4.556 0.001 0.000 0.373 563 H C -0.004 175.472 175.328 0.246 0.000 1.165 563 H CA -0.122 56.022 56.048 0.159 0.000 1.154 563 H CB 2.476 32.273 29.762 0.058 0.000 1.765 563 H HN 1.122 nan 8.280 nan 0.000 0.549 564 G N 1.584 110.603 108.800 0.364 0.000 2.343 564 G HA2 0.357 4.318 3.960 0.001 0.000 0.319 564 G HA3 0.357 4.318 3.960 0.001 0.000 0.319 564 G C -0.327 174.687 174.900 0.189 0.000 1.126 564 G CA -0.785 44.518 45.100 0.339 0.000 0.889 564 G HN 0.430 nan 8.290 nan 0.000 0.457 565 K N 2.580 123.071 120.400 0.152 0.000 2.404 565 K HA 0.319 4.640 4.320 0.001 0.000 0.257 565 K C -0.016 176.633 176.600 0.082 0.000 1.026 565 K CA -0.733 55.611 56.287 0.095 0.000 0.951 565 K CB 1.302 33.847 32.500 0.075 0.000 1.203 565 K HN 0.723 nan 8.250 nan 0.000 0.446 566 Q N 1.222 121.064 119.800 0.071 0.000 2.493 566 Q HA -0.206 4.134 4.340 0.001 0.000 0.278 566 Q C 0.436 176.483 176.000 0.079 0.000 1.216 566 Q CA 0.777 56.617 55.803 0.062 0.000 0.875 566 Q CB -1.997 26.769 28.738 0.047 0.000 1.262 566 Q HN 1.246 nan 8.270 nan 0.000 0.468 567 G N -0.504 108.363 108.800 0.111 0.000 2.148 567 G HA2 -0.328 3.632 3.960 0.001 0.000 0.254 567 G HA3 -0.328 3.632 3.960 0.001 0.000 0.254 567 G C -0.146 174.839 174.900 0.142 0.000 0.981 567 G CA 0.573 45.756 45.100 0.137 0.000 0.670 567 G HN 0.351 nan 8.290 nan 0.000 0.528 568 Q N -0.831 119.046 119.800 0.128 0.000 2.323 568 Q HA 0.638 4.978 4.340 0.001 0.000 0.271 568 Q C -1.149 174.911 176.000 0.100 0.000 1.048 568 Q CA -0.980 54.878 55.803 0.092 0.000 0.792 568 Q CB 2.355 31.122 28.738 0.048 0.000 1.280 568 Q HN 0.296 nan 8.270 nan 0.000 0.441 569 L N 3.078 124.336 121.223 0.059 0.000 2.296 569 L HA 0.458 4.799 4.340 0.001 0.000 0.286 569 L C -1.069 175.774 176.870 -0.045 0.000 1.023 569 L CA -0.068 54.800 54.840 0.046 0.000 0.812 569 L CB 1.239 43.299 42.059 0.001 0.000 1.223 569 L HN 0.423 nan 8.230 nan 0.000 0.421 570 K N 5.073 125.465 120.400 -0.013 0.000 2.240 570 K HA 0.584 4.905 4.320 0.001 0.000 0.271 570 K C -1.561 175.010 176.600 -0.047 0.000 1.018 570 K CA -0.650 55.607 56.287 -0.050 0.000 0.874 570 K CB 0.783 33.271 32.500 -0.020 0.000 1.098 570 K HN 0.505 nan 8.250 nan 0.000 0.458 571 L N 2.526 123.694 121.223 -0.092 0.000 2.319 571 L HA 0.529 4.870 4.340 0.001 0.000 0.267 571 L C -0.274 176.556 176.870 -0.066 0.000 1.011 571 L CA -0.582 54.213 54.840 -0.074 0.000 0.818 571 L CB 1.971 43.965 42.059 -0.109 0.000 1.316 571 L HN 0.640 nan 8.230 nan 0.000 0.432 572 T N 3.408 117.938 114.554 -0.039 0.000 2.881 572 T HA 0.701 5.051 4.350 0.001 0.000 0.291 572 T C -0.536 174.150 174.700 -0.022 0.000 0.990 572 T CA -0.395 61.685 62.100 -0.033 0.000 0.976 572 T CB 0.934 69.790 68.868 -0.019 0.000 0.970 572 T HN 0.266 nan 8.240 nan 0.000 0.438 573 L N 2.666 123.873 121.223 -0.028 0.000 2.342 573 L HA 0.660 5.000 4.340 0.001 0.000 0.271 573 L C 0.567 177.425 176.870 -0.019 0.000 1.008 573 L CA -1.340 53.492 54.840 -0.014 0.000 0.818 573 L CB 1.845 43.898 42.059 -0.010 0.000 1.296 573 L HN 0.382 nan 8.230 nan 0.000 0.427 574 R N 0.878 121.376 120.500 -0.004 0.000 2.652 574 R HA 0.334 4.674 4.340 0.001 0.000 0.271 574 R C -2.350 173.936 176.300 -0.024 0.000 1.129 574 R CA -1.638 54.458 56.100 -0.006 0.000 1.200 574 R CB -0.245 30.063 30.300 0.014 0.000 1.146 574 R HN 0.318 nan 8.270 nan 0.000 0.581 575 P HA -0.109 nan 4.420 nan 0.000 0.264 575 P C -0.943 176.356 177.300 -0.002 0.000 1.183 575 P CA 0.695 63.733 63.100 -0.104 0.000 0.763 575 P CB 0.051 31.747 31.700 -0.007 0.000 0.807 576 Y N -1.353 118.955 120.300 0.014 0.000 3.978 576 Y HA -0.292 4.258 4.550 0.001 0.000 0.219 576 Y C 1.015 176.945 175.900 0.051 0.000 1.153 576 Y CA 0.565 58.685 58.100 0.033 0.000 1.718 576 Y CB -1.988 36.485 38.460 0.022 0.000 1.541 576 Y HN 0.448 nan 8.280 nan 0.000 0.640 577 Q N 0.888 120.751 119.800 0.106 0.000 2.260 577 Q HA 0.626 4.967 4.340 0.001 0.000 0.238 577 Q C 0.395 176.475 176.000 0.134 0.000 0.948 577 Q CA 0.000 55.869 55.803 0.109 0.000 0.895 577 Q CB 1.607 30.384 28.738 0.065 0.000 1.218 577 Q HN 0.353 nan 8.270 nan 0.000 0.470 578 G N 2.619 111.508 108.800 0.149 0.000 2.719 578 G HA2 0.547 4.507 3.960 0.001 0.000 0.298 578 G HA3 0.547 4.507 3.960 0.001 0.000 0.298 578 G C -1.219 173.767 174.900 0.143 0.000 1.433 578 G CA -0.749 44.453 45.100 0.171 0.000 1.034 578 G HN 0.580 nan 8.290 nan 0.000 0.517 579 M N 1.973 121.642 119.600 0.115 0.000 2.436 579 M HA 0.510 4.990 4.480 0.001 0.000 0.331 579 M C -0.501 175.858 176.300 0.097 0.000 1.135 579 M CA -0.559 54.801 55.300 0.100 0.000 0.987 579 M CB 2.642 35.288 32.600 0.076 0.000 1.687 579 M HN 0.243 nan 8.290 nan 0.000 0.445 580 I N 4.226 124.855 120.570 0.098 0.000 2.428 580 I HA 0.232 4.402 4.170 0.001 0.000 0.279 580 I C -1.195 174.995 176.117 0.123 0.000 1.040 580 I CA -0.748 60.602 61.300 0.082 0.000 1.171 580 I CB 0.756 38.796 38.000 0.066 0.000 1.312 580 I HN 0.403 nan 8.210 nan 0.000 0.470 581 L N 6.076 127.373 121.223 0.122 0.000 2.261 581 L HA 0.230 4.570 4.340 0.001 0.000 0.289 581 L C -0.460 176.593 176.870 0.304 0.000 1.059 581 L CA -0.066 54.889 54.840 0.192 0.000 0.816 581 L CB 0.111 42.231 42.059 0.102 0.000 1.191 581 L HN 0.466 nan 8.230 nan 0.000 0.431 582 W N 5.064 126.460 121.300 0.161 0.000 2.351 582 W HA 0.262 4.923 4.660 0.001 0.000 0.311 582 W C 1.239 177.892 176.519 0.222 0.000 1.168 582 W CA -0.890 56.548 57.345 0.154 0.000 1.200 582 W CB 0.705 30.214 29.460 0.081 0.000 1.221 582 W HN 0.721 nan 8.180 nan 0.000 0.519 583 N N 4.178 122.837 118.700 -0.068 0.000 2.362 583 N HA 0.035 4.776 4.740 0.001 0.000 0.204 583 N C 1.272 176.261 175.510 -0.867 0.000 1.166 583 N CA 0.806 53.647 53.050 -0.348 0.000 0.831 583 N CB -0.217 38.224 38.487 -0.076 0.000 1.008 583 N HN 0.924 nan 8.380 nan 0.000 0.472 584 G N 0.400 108.049 108.800 -1.917 0.000 2.228 584 G HA2 -0.369 3.591 3.960 0.001 0.000 0.270 584 G HA3 -0.369 3.591 3.960 0.001 0.000 0.270 584 G C 0.401 174.738 174.900 -0.938 0.000 0.976 584 G CA 0.643 44.496 45.100 -2.078 0.000 0.636 584 G HN 0.537 nan 8.290 nan 0.000 0.542 585 R N 0.000 120.212 120.500 -0.481 0.000 2.786 585 R HA 0.000 4.341 4.340 0.001 0.000 0.208 585 R CA 0.000 56.034 56.100 -0.110 0.000 0.921 585 R CB 0.000 30.197 30.300 -0.171 0.000 0.687 585 R HN 0.000 nan 8.270 nan 0.000 0.535